data_A1LW8
# 
_chem_comp.id                                    A1LW8 
_chem_comp.name                                  "(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{S})-2-methyl-4-[(1~{R},2~{R},4~{S},6~{S},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S},18~{R})-7,9,13,18-tetramethyl-16-oxidanyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-yl]butoxy]oxane-3,4,5-triol" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H56 O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-01-26 
_chem_comp.pdbx_modified_date                    2025-01-17 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        592.804 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LW8 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        8Y1V 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_chem_comp.pdbx_pcm                              ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
A1LW8 C10  C1  C 0 1 N N R N N N 146.025 172.692 105.933 5.804  0.191  0.497  C10  A1LW8 1  
A1LW8 C13  C2  C 0 1 N N N N N N 145.335 172.458 109.598 5.381  3.198  -1.668 C13  A1LW8 2  
A1LW8 C15  C3  C 0 1 N N S N N N 146.148 174.482 108.263 7.453  2.282  -0.613 C15  A1LW8 3  
A1LW8 C17  C4  C 0 1 N N S N N N 146.799 174.919 106.926 7.989  1.398  0.517  C17  A1LW8 4  
A1LW8 C19  C5  C 0 1 N N R N N N 146.082 174.253 105.701 7.324  0.020  0.431  C19  A1LW8 5  
A1LW8 C24  C6  C 0 1 N N R N N N 148.061 173.492 97.655  -2.669 -1.209 -0.176 C24  A1LW8 6  
A1LW8 C25  C7  C 0 1 N N R N N N 147.176 173.324 96.370  -3.465 0.068  -0.033 C25  A1LW8 7  
A1LW8 C27  C8  C 0 1 N N N N N N 146.150 175.146 94.874  -4.094 2.261  -1.021 C27  A1LW8 8  
A1LW8 C28  C9  C 0 1 N N R N N N 147.512 175.781 94.622  -5.546 2.071  -0.587 C28  A1LW8 9  
A1LW8 C12  C10 C 0 1 N N R N N N 146.072 172.928 108.297 5.928  2.365  -0.507 C12  A1LW8 10 
A1LW8 C30  C11 C 0 1 N N N N N N 147.482 176.662 93.349  -6.143 3.450  -0.270 C30  A1LW8 11 
A1LW8 C1   C12 C 0 1 N N N N N N 150.385 169.955 99.922  -0.574 -3.462 -2.309 C1   A1LW8 12 
A1LW8 C2   C13 C 0 1 N N N N N N 149.310 170.928 100.150 -1.153 -3.589 -0.923 C2   A1LW8 13 
A1LW8 C22  C14 C 0 1 N N S N N N 147.354 172.175 99.698  -2.435 -3.337 1.054  C22  A1LW8 14 
A1LW8 C23  C15 C 0 1 N N N N N N 147.259 173.546 98.983  -2.345 -1.808 1.204  C23  A1LW8 15 
A1LW8 C26  C16 C 0 1 N N N N N N 146.061 174.373 96.191  -3.436 0.910  -1.304 C26  A1LW8 16 
A1LW8 C29  C17 C 0 1 N N N N N N 147.756 176.710 95.836  -6.360 1.524  -1.772 C29  A1LW8 17 
A1LW8 C3   C18 C 0 1 N N N N N N 148.749 171.313 101.339 -0.407 -3.754 0.159  C3   A1LW8 18 
A1LW8 C31  C19 C 0 1 N N S N N N 147.097 175.970 92.032  -5.475 4.066  0.954  C31  A1LW8 19 
A1LW8 C33  C20 C 0 1 N N N N N N 147.744 174.600 91.972  -5.700 3.140  2.153  C33  A1LW8 20 
A1LW8 C34  C21 C 0 1 N N N N N N 148.878 174.423 92.978  -5.061 1.789  1.862  C34  A1LW8 21 
A1LW8 C35  C22 C 0 1 N N R N N N 148.569 174.656 94.468  -5.654 1.134  0.604  C35  A1LW8 22 
A1LW8 C36  C23 C 0 1 N N N N N N 149.894 175.150 95.121  -7.133 0.827  0.881  C36  A1LW8 23 
A1LW8 C37  C24 C 0 1 N N S N N N 148.027 173.259 95.064  -4.900 -0.179 0.411  C37  A1LW8 24 
A1LW8 C38  C25 C 0 1 N N N N N N 149.155 172.216 95.235  -5.570 -1.176 -0.518 C38  A1LW8 25 
A1LW8 C39  C26 C 0 1 N N N N N N 149.216 171.500 96.577  -4.810 -2.506 -0.424 C39  A1LW8 26 
A1LW8 C4   C27 C 0 1 N N N N N N 148.844 170.607 102.688 1.096  -3.805 0.114  C4   A1LW8 27 
A1LW8 C40  C28 C 0 1 N N S N N N 149.051 172.314 97.867  -3.374 -2.335 -0.944 C40  A1LW8 28 
A1LW8 C41  C29 C 0 1 N N N N N N 150.425 172.838 98.332  -3.374 -2.142 -2.459 C41  A1LW8 29 
A1LW8 C42  C30 C 0 1 N N S N N N 148.452 171.386 98.991  -2.595 -3.595 -0.482 C42  A1LW8 30 
A1LW8 C5   C31 C 0 1 N N N N N N 147.815 170.916 103.833 1.663  -2.414 0.402  C5   A1LW8 31 
A1LW8 C6   C32 C 0 1 N N S N N N 146.580 169.925 104.113 3.191  -2.466 0.356  C6   A1LW8 32 
A1LW8 C7   C33 C 0 1 N N N N N N 146.198 169.227 102.810 3.706  -3.356 1.489  C7   A1LW8 33 
A1LW8 C8   C34 C 0 1 N N N N N N 145.265 170.620 104.765 3.755  -1.053 0.521  C8   A1LW8 34 
A1LW8 O11  O1  O 0 1 N N N N N N 145.345 172.467 107.165 5.376  1.048  -0.563 O11  A1LW8 35 
A1LW8 O14  O2  O 0 1 N N N N N N 144.200 173.270 109.747 3.972  3.373  -1.505 O14  A1LW8 36 
A1LW8 O16  O3  O 0 1 N N N N N N 147.018 174.860 109.288 8.012  3.592  -0.499 O16  A1LW8 37 
A1LW8 O18  O4  O 0 1 N N N N N N 146.639 176.302 106.803 9.404  1.257  0.384  O18  A1LW8 38 
A1LW8 O20  O5  O 0 1 N N N N N N 146.855 174.522 104.583 7.761  -0.790 1.524  O20  A1LW8 39 
A1LW8 O21  O6  O 0 1 N N N N N N 147.691 172.181 101.094 -1.127 -3.894 1.293  O21  A1LW8 40 
A1LW8 O32  O7  O 0 1 N N N N N N 147.535 176.712 90.927  -6.056 5.343  1.228  O32  A1LW8 41 
A1LW8 O9   O8  O 0 1 N N N N N N 145.268 172.070 104.888 5.175  -1.085 0.361  O9   A1LW8 42 
A1LW8 H10  H1  H 0 1 N N N N N N 147.051 172.297 105.967 5.529  0.632  1.455  H10  A1LW8 43 
A1LW8 H13B H2  H 0 0 N N N N N N 145.035 171.404 109.501 5.869  4.172  -1.678 H13B A1LW8 44 
A1LW8 H13A H3  H 0 0 N N N N N N 145.997 172.572 110.469 5.577  2.683  -2.608 H13A A1LW8 45 
A1LW8 H15  H4  H 0 1 N N N N N N 145.144 174.920 108.367 7.728  1.851  -1.575 H15  A1LW8 46 
A1LW8 H17  H5  H 0 1 N N N N N N 147.861 174.631 106.924 7.757  1.855  1.479  H17  A1LW8 47 
A1LW8 H19  H6  H 0 1 N N N N N N 145.060 174.649 105.609 7.597  -0.458 -0.510 H19  A1LW8 48 
A1LW8 H24  H7  H 0 1 N N N N N N 148.640 174.422 97.558  -1.725 -0.978 -0.677 H24  A1LW8 49 
A1LW8 H25  H8  H 0 1 N N N N N N 146.677 172.348 96.464  -2.972 0.659  0.761  H25  A1LW8 50 
A1LW8 H27A H9  H 0 0 N N N N N N 145.393 175.944 94.889  -4.063 2.872  -1.926 H27A A1LW8 51 
A1LW8 H27B H10 H 0 0 N N N N N N 145.934 174.451 94.049  -3.538 2.772  -0.232 H27B A1LW8 52 
A1LW8 H12  H11 H 0 1 N N N N N N 147.093 172.520 108.300 5.655  2.835  0.438  H12  A1LW8 53 
A1LW8 H30B H12 H 0 0 N N N N N N 148.487 177.090 93.218  -5.984 4.102  -1.134 H30B A1LW8 54 
A1LW8 H30A H13 H 0 0 N N N N N N 146.758 177.472 93.523  -7.215 3.356  -0.102 H30A A1LW8 55 
A1LW8 H1B  H14 H 0 1 N N N N N N 150.897 169.744 100.873 0.309  -4.095 -2.394 H1B  A1LW8 56 
A1LW8 H1C  H15 H 0 1 N N N N N N 149.958 169.024 99.521  -1.317 -3.774 -3.043 H1C  A1LW8 57 
A1LW8 H1A  H16 H 0 1 N N N N N N 151.106 170.368 99.201  -0.296 -2.424 -2.492 H1A  A1LW8 58 
A1LW8 H22  H18 H 0 1 N N N N N N 146.400 171.647 99.552  -3.217 -3.790 1.651  H22  A1LW8 59 
A1LW8 H23A H19 H 0 0 N N N N N N 147.678 174.329 99.633  -1.340 -1.515 1.506  H23A A1LW8 60 
A1LW8 H23B H20 H 0 0 N N N N N N 146.205 173.774 98.766  -3.071 -1.459 1.938  H23B A1LW8 61 
A1LW8 H26B H21 H 0 0 N N N N N N 146.124 175.092 97.021  -2.396 1.077  -1.602 H26B A1LW8 62 
A1LW8 H26A H22 H 0 0 N N N N N N 145.090 173.857 96.226  -3.957 0.408  -2.112 H26A A1LW8 63 
A1LW8 H29B H23 H 0 0 N N N N N N 147.782 176.110 96.758  -5.857 0.651  -2.186 H29B A1LW8 64 
A1LW8 H29A H24 H 0 0 N N N N N N 148.716 177.232 95.711  -7.355 1.242  -1.429 H29A A1LW8 65 
A1LW8 H29C H25 H 0 0 N N N N N N 146.943 177.448 95.902  -6.445 2.293  -2.540 H29C A1LW8 66 
A1LW8 H31  H27 H 0 1 N N N N N N 146.004 175.849 92.006  -4.407 4.184  0.779  H31  A1LW8 67 
A1LW8 H33B H28 H 0 0 N N N N N N 146.974 173.841 92.177  -5.227 3.583  3.035  H33B A1LW8 68 
A1LW8 H33A H29 H 0 0 N N N N N N 148.148 174.449 90.960  -6.765 3.036  2.344  H33A A1LW8 69 
A1LW8 H34B H30 H 0 0 N N N N N N 149.245 173.391 92.878  -3.986 1.919  1.719  H34B A1LW8 70 
A1LW8 H34A H31 H 0 0 N N N N N N 149.677 175.125 92.697  -5.221 1.119  2.711  H34A A1LW8 71 
A1LW8 H36A H32 H 0 0 N N N N N N 149.729 175.333 96.193  -7.660 1.755  1.106  H36A A1LW8 72 
A1LW8 H36B H33 H 0 0 N N N N N N 150.673 174.383 94.996  -7.578 0.361  0.002  H36B A1LW8 73 
A1LW8 H36C H34 H 0 0 N N N N N N 150.217 176.083 94.635  -7.211 0.150  1.731  H36C A1LW8 74 
A1LW8 H37  H35 H 0 1 N N N N N N 147.357 172.855 94.291  -4.847 -0.657 1.415  H37  A1LW8 75 
A1LW8 H38B H36 H 0 0 N N N N N N 149.026 171.452 94.454  -6.604 -1.368 -0.230 H38B A1LW8 76 
A1LW8 H38A H37 H 0 0 N N N N N N 150.115 172.733 95.088  -5.541 -0.841 -1.553 H38A A1LW8 77 
A1LW8 H39A H38 H 0 0 N N N N N N 148.421 170.740 96.572  -4.786 -2.829 0.613  H39A A1LW8 78 
A1LW8 H39B H39 H 0 0 N N N N N N 150.196 171.004 96.633  -5.321 -3.248 -1.033 H39B A1LW8 79 
A1LW8 H4B  H40 H 0 1 N N N N N N 148.771 169.529 102.483 1.459  -4.508 0.864  H4B  A1LW8 80 
A1LW8 H4A  H41 H 0 1 N N N N N N 149.841 170.836 103.092 1.419  -4.131 -0.875 H4A  A1LW8 81 
A1LW8 H41B H42 H 0 0 N N N N N N 150.302 173.421 99.257  -2.354 -1.967 -2.803 H41B A1LW8 82 
A1LW8 H41C H43 H 0 0 N N N N N N 151.097 171.988 98.521  -3.770 -3.037 -2.940 H41C A1LW8 83 
A1LW8 H41A H44 H 0 0 N N N N N N 150.857 173.479 97.549  -3.996 -1.285 -2.717 H41A A1LW8 84 
A1LW8 H42  H45 H 0 1 N N N N N N 148.003 170.506 98.508  -3.118 -4.530 -0.702 H42  A1LW8 85 
A1LW8 H5B  H46 H 0 1 N N N N N N 148.392 170.972 104.768 1.301  -1.711 -0.348 H5B  A1LW8 86 
A1LW8 H5A  H47 H 0 1 N N N N N N 147.383 171.902 103.610 1.341  -2.088 1.391  H5A  A1LW8 87 
A1LW8 H6   H48 H 0 1 N N N N N N 146.928 169.161 104.824 3.512  -2.876 -0.602 H6   A1LW8 88 
A1LW8 H7C  H49 H 0 1 N N N N N N 145.353 168.546 102.992 3.386  -2.946 2.447  H7C  A1LW8 89 
A1LW8 H7A  H50 H 0 1 N N N N N N 145.908 169.980 102.062 3.305  -4.362 1.372  H7A  A1LW8 90 
A1LW8 H7B  H51 H 0 1 N N N N N N 147.058 168.652 102.436 4.795  -3.393 1.456  H7B  A1LW8 91 
A1LW8 H8A  H52 H 0 1 N N N N N N 144.402 170.343 104.142 3.320  -0.398 -0.233 H8A  A1LW8 92 
A1LW8 H8B  H53 H 0 1 N N N N N N 145.137 170.203 105.775 3.510  -0.678 1.514  H8B  A1LW8 93 
A1LW8 H14  H54 H 0 1 N N N N N N 143.726 173.013 110.529 3.556  3.893  -2.207 H14  A1LW8 94 
A1LW8 H16  H55 H 0 1 N N N N N N 146.650 174.607 110.126 8.977  3.615  -0.558 H16  A1LW8 95 
A1LW8 H18  H56 H 0 1 N N N N N N 147.064 176.737 107.533 9.811  0.707  1.069  H18  A1LW8 96 
A1LW8 H20  H57 H 0 1 N N N N N N 146.891 175.461 104.441 7.376  -1.677 1.536  H20  A1LW8 97 
A1LW8 H32  H58 H 0 1 N N N N N N 147.139 177.575 90.948  -5.676 5.792  1.996  H32  A1LW8 98 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1LW8 O32 C31  SING N N 1   
A1LW8 C33 C31  SING N N 2   
A1LW8 C33 C34  SING N N 3   
A1LW8 C31 C30  SING N N 4   
A1LW8 C34 C35  SING N N 5   
A1LW8 C30 C28  SING N N 6   
A1LW8 C35 C28  SING N N 7   
A1LW8 C35 C37  SING N N 8   
A1LW8 C35 C36  SING N N 9   
A1LW8 C28 C27  SING N N 10  
A1LW8 C28 C29  SING N N 11  
A1LW8 C27 C26  SING N N 12  
A1LW8 C37 C38  SING N N 13  
A1LW8 C37 C25  SING N N 14  
A1LW8 C38 C39  SING N N 15  
A1LW8 C26 C25  SING N N 16  
A1LW8 C25 C24  SING N N 17  
A1LW8 C39 C40  SING N N 18  
A1LW8 C24 C40  SING N N 19  
A1LW8 C24 C23  SING N N 20  
A1LW8 C40 C41  SING N N 21  
A1LW8 C40 C42  SING N N 22  
A1LW8 C23 C22  SING N N 23  
A1LW8 C42 C22  SING N N 24  
A1LW8 C42 C2   SING N N 25  
A1LW8 C22 O21  SING N N 26  
A1LW8 C1  C2   SING N N 27  
A1LW8 C2  C3   DOUB N N 28  
A1LW8 O21 C3   SING N N 29  
A1LW8 C3  C4   SING N N 30  
A1LW8 C4  C5   SING N N 31  
A1LW8 C7  C6   SING N N 32  
A1LW8 C5  C6   SING N N 33  
A1LW8 C6  C8   SING N N 34  
A1LW8 O20 C19  SING N N 35  
A1LW8 C8  O9   SING N N 36  
A1LW8 O9  C10  SING N N 37  
A1LW8 C19 C10  SING N N 38  
A1LW8 C19 C17  SING N N 39  
A1LW8 C10 O11  SING N N 40  
A1LW8 O18 C17  SING N N 41  
A1LW8 C17 C15  SING N N 42  
A1LW8 O11 C12  SING N N 43  
A1LW8 C15 C12  SING N N 44  
A1LW8 C15 O16  SING N N 45  
A1LW8 C12 C13  SING N N 46  
A1LW8 C13 O14  SING N N 47  
A1LW8 C10 H10  SING N N 48  
A1LW8 C13 H13B SING N N 49  
A1LW8 C13 H13A SING N N 50  
A1LW8 C15 H15  SING N N 51  
A1LW8 C17 H17  SING N N 52  
A1LW8 C19 H19  SING N N 53  
A1LW8 C24 H24  SING N N 54  
A1LW8 C25 H25  SING N N 55  
A1LW8 C27 H27A SING N N 56  
A1LW8 C27 H27B SING N N 57  
A1LW8 C12 H12  SING N N 58  
A1LW8 C30 H30B SING N N 59  
A1LW8 C30 H30A SING N N 60  
A1LW8 C1  H1B  SING N N 61  
A1LW8 C1  H1C  SING N N 62  
A1LW8 C1  H1A  SING N N 63  
A1LW8 C22 H22  SING N N 64  
A1LW8 C23 H23A SING N N 65  
A1LW8 C23 H23B SING N N 66  
A1LW8 C26 H26B SING N N 67  
A1LW8 C26 H26A SING N N 68  
A1LW8 C29 H29B SING N N 69  
A1LW8 C29 H29A SING N N 70  
A1LW8 C29 H29C SING N N 71  
A1LW8 C31 H31  SING N N 72  
A1LW8 C33 H33B SING N N 73  
A1LW8 C33 H33A SING N N 74  
A1LW8 C34 H34B SING N N 75  
A1LW8 C34 H34A SING N N 76  
A1LW8 C36 H36A SING N N 77  
A1LW8 C36 H36B SING N N 78  
A1LW8 C36 H36C SING N N 79  
A1LW8 C37 H37  SING N N 80  
A1LW8 C38 H38B SING N N 81  
A1LW8 C38 H38A SING N N 82  
A1LW8 C39 H39A SING N N 83  
A1LW8 C39 H39B SING N N 84  
A1LW8 C4  H4B  SING N N 85  
A1LW8 C4  H4A  SING N N 86  
A1LW8 C41 H41B SING N N 87  
A1LW8 C41 H41C SING N N 88  
A1LW8 C41 H41A SING N N 89  
A1LW8 C42 H42  SING N N 90  
A1LW8 C5  H5B  SING N N 91  
A1LW8 C5  H5A  SING N N 92  
A1LW8 C6  H6   SING N N 93  
A1LW8 C7  H7C  SING N N 94  
A1LW8 C7  H7A  SING N N 95  
A1LW8 C7  H7B  SING N N 96  
A1LW8 C8  H8A  SING N N 97  
A1LW8 C8  H8B  SING N N 98  
A1LW8 O14 H14  SING N N 99  
A1LW8 O16 H16  SING N N 100 
A1LW8 O18 H18  SING N N 101 
A1LW8 O20 H20  SING N N 102 
A1LW8 O32 H32  SING N N 103 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
A1LW8 InChI            InChI                1.06  "InChI=1S/C34H56O8/c1-18(17-40-31-30(39)29(38)28(37)26(16-35)42-31)6-7-24-19(2)27-25(41-24)14-23-21-9-11-32(3)15-20(36)8-13-34(32,5)22(21)10-12-33(23,27)4/h18,20-23,25-31,35-39H,6-17H2,1-5H3/t18-,20-,21-,22-,23+,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+/m0/s1" 
A1LW8 InChIKey         InChI                1.06  ULNDCEKFZLEEGC-TWIDTKOTSA-N                                                                                                                                                                                                                                        
A1LW8 SMILES_CANONICAL CACTVS               3.385 "C[C@@H](CCC1=C(C)[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@]5(C)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O1)CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O"                                                                                                                          
A1LW8 SMILES           CACTVS               3.385 "C[CH](CCC1=C(C)[CH]2[CH](C[CH]3[CH]4CC[C]5(C)C[CH](O)CC[C]5(C)[CH]4CC[C]23C)O1)CO[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O"                                                                                                                                              
A1LW8 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@@H]([C@H]3C2)CC[C@]5([C@@]4(CC[C@@H](C5)O)C)C)C)CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O"                                                                                                                     
A1LW8 SMILES           "OpenEye OEToolkits" 2.0.7 "CC1=C(OC2C1C3(CCC4C(C3C2)CCC5(C4(CCC(C5)O)C)C)C)CCC(C)COC6C(C(C(C(O6)CO)O)O)O"                                                                                                                                                                                    
# 
_pdbx_chem_comp_identifier.comp_id           A1LW8 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{S})-2-methyl-4-[(1~{R},2~{R},4~{S},8~{S},9~{S},12~{S},13~{R},16~{S},18~{R})-7,9,13,18-tetramethyl-16-oxidanyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-6-en-6-yl]butoxy]oxane-3,4,5-triol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1LW8 "Create component" 2024-01-26 PDBJ 
A1LW8 "Initial release"  2025-01-22 RCSB 
# 
