能提供下异麦角甾苷的SMILES文件吗?
【已解决】异麦角甾苷的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])[H])O1)O[H])O[H])O[H])[C@]1([H])[C@]([H])([C@]([H])(OC([H])([H])C([H])([H])C2C([H])=C([H])C(=C(C=2[H])O[H])O[H])O[C@]([H])(C([H])([H])OC(/C(/[H])=C(\[H])/C2C([H])=C([H])C(=C(C=2[H])O[H])O[H])=O)[C@@]1([H])O[H])O[H]