能提供下丝石竹皂苷元3-O-Β-D-葡萄糖醛酸甲酯的SMILES文件吗?
【已解决】
丝石竹皂苷元3-O-Β-D-葡萄糖醛酸甲酯的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(=O)OC([H])([H])[H])O1)O[H])O[H])O[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])([C@]1(C([H])=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4(C(=O)O[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]4([H])C3=C([H])C([H])([H])C12[H]