能提供下Ipecoside的SMILES文件吗?
【已解决】
Ipecoside的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O([C@]1([H])[C@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])[C@]1([H])[C@@]([H])(C([H])=C([H])[H])[C@]([H])(C(C(=O)OC([H])([H])[H])=C([H])O1)C([H])([H])[C@@]1([H])C2=C([H])C(=C(C([H])=C2C([H])([H])C([H])([H])N1C(C([H])([H])[H])=O)O[H])O[H]