能提供下七叶皂苷 Ib的SMILES文件吗?
【已解决】七叶皂苷 Ib的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O([H])[C@]1([H])C([H])([H])[C@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])([C@](C([H])([H])[H])(C([H])([H])O[H])[C@]4([H])C([H])([H])C([H])([H])[C@]32C([H])([H])[H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O2)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])O[H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])[C@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])([C@@]([H])([C@@]21C([H])([H])O[H])OC(C([H])([H])[H])=O)OC(/C(=C(/[H])\C([H])([H])[H])/C([H])([H])[H])=O