active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD024167 | 4.52 | 686.77 | C31H34O10N4S2 | CSc1nc2c(c(=S)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD002198 | 3.08 | 742.76 | C34H38O13N4S | CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
|
GD002198 | 3.08 | 742.76 | C34H38O13N4S | CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD016441 | 1.43 | 544.59 | C25H28O8N4S | CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O |
|
GD006744 | 0.79 | 574.61 | C26H30O9N4S | CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
|
GD006744 | 0.79 | 574.61 | C26H30O9N4S | CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD035566 | -1.86 | 566.51 | C26H30O14 | O=C1C[C@H](c2ccc(O)cc2)Oc2c1c(O)cc(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O |
|
GD025866 | -0.71 | 564.5 | C26H28O14 | C[C@@H]1O[C@H](O[C@@H]2[C@H](c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
|
GD013260 | -1.35 | 594.52 | C27H30O15 | C[C@@H]1O[C@H](O[C@@H]2[C@H](c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
|
GD017759 | 3.53 | 662.86 | C37H58O10 | CC(=O)O[C@H](C[C@H](C)[C@@H]1C(=O)[C@H](O)[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C |