能提供下柴胡皂苷B4的SMILES文件吗?
【已解决】
柴胡皂苷B4的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O(C([H])([H])[H])C1([H])C([H])=C2[C@@]3([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])O[H])[C@]([H])(C([H])([H])[C@@]2(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])C(C([H])([H])[H])(C([H])([H])O[H])C([H])(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C21[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H])O[H]