能提供下(-)-丁香树脂醇二葡萄糖甙的SMILES文件吗?
【已解决】(-)-丁香树脂醇二葡萄糖甙的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O1C([H])([H])[C@@]2([H])[C@]([H])(C3C([H])=C(C(=C(C=3[H])OC([H])([H])[H])O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O3)O[H])O[H])O[H])OC([H])([H])[H])OC([H])([H])[C@@]2([H])[C@]1([H])C1C([H])=C(C(=C(C=1[H])OC([H])([H])[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])OC([H])([H])[H]