糖苷分子数据库

active glycosides

GD id	AlogP	MolWeight	MolFormula	Smiles
GD036329	5.35	811.03	C44H66O10N4	CC(=O)O[C@@H]1CO[C@@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)nn2)[C@H](OC(C)=O)[C@@H]1OC(C)=O
GD017354	3.64	684.92	C38H60O7N4	CC1(C)CC[C@@]2(C(=O)NCc3cn([C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)nn3)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1
GD008567	5.28	883.09	C47H70O12N4	CC(=O)OC[C@@H]1O[C@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
GD020446	3.0	714.94	C39H62O8N4	CC1(C)CC[C@@]2(C(=O)NCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1
GD008567	5.28	883.09	C47H70O12N4	CC(=O)OC[C@@H]1O[C@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
GD020446	3.0	714.94	C39H62O8N4	CC1(C)CC[C@@]2(C(=O)NCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1
GD008447	5.74	825.06	C45H68O10N4	CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)nn2)O[C@H](C)[C@H]1OC(C)=O
GD023750	4.03	698.95	C39H62O7N4	C[C@@H]1O[C@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)nn2)[C@H](O)[C@H](O)[C@H]1O
GD009018	5.35	811.03	C44H66O10N4	CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)C[C@H]4O)nn2)OC[C@H]1OC(C)=O
GD002622	5.75	803.0	C44H66O13	CC(=O)OC[C@@H]1O[C@H](OC(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)C[C@H]3O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O