active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD026711 | 2.86 | 622.61 | C29H26O10N4S | CC(=O)O[C@@H]1O[C@H](SC2=C(C#N)C(c3ccc4ccccc4c3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)O |
|
GD026699 | 1.72 | 602.58 | C26H26O11N4S | COc1ccc(C2C(C#N)=C(N)NC(S[C@@H]3O[C@H](OC(C)=O)[C@H](OC(=O)O)[C@H](OC(C)=O)[C@H]3OC(C)=O)=C2C#N)cc1 |
|
GD000269 | 0.3 | 701.65 | C26H36O12N7PS | CO[C@@H]1[C@H](OP(=O)(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)C[C@H]2O)SCOC(=O)C(C)(C)C)[C@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O |
|
GD020805 | 0.27 | 703.62 | C25H34O13N7PS | CO[C@@H]1[C@H](OP(=O)(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)C[C@H]2O)SCOC(=O)OC(C)C)[C@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O |
|
GD000810 | 3.36 | 618.62 | C30H26O9N4S | CC(=O)O[C@@H]1O[C@H](Sc2nc(N)c(C#N)c(-c3ccc4ccccc4c3)c2C#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
|
GD000810 | 3.36 | 618.62 | C30H26O9N4S | CC(=O)O[C@@H]1O[C@H](Sc2nc(N)c(C#N)c(-c3ccc4ccccc4c3)c2C#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD020454 | 2.22 | 598.59 | C27H26O10N4S | COc1ccc(-c2c(C#N)c(N)nc(S[C@@H]3O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2C#N)cc1 |
|
GD024394 | 0.67 | 550.56 | C27H34O12 | COc1cc([C@@H]2OC[C@@H]3[C@H](c4cc(OC)c(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@H]23)ccc1O |
|
GD024418 | -3.76 | 260.21 | C8H12O6N4 | NC(=O)c1ncn(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n1 |
|
GD014881 | 1.95 | 580.54 | C30H28O12 | O=C(C=Cc1ccccc1)O[C@@H]1[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)CC3=O)O[C@H](CO)[C@H](O)[C@H]1O |