active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD017513 | -1.38 | 406.34 | C12H17O7N5PS | CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1O |
|
GD019288 | -1.93 | 641.48 | C24H28O14N5P | COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(N)C3OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C1=O |
|
GD000378 | -1.99 | 681.55 | C26H32O13N7P | CC1=C(N=CN(C)C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O |
|
GD030321 | -0.76 | 718.57 | C29H31O14N6P | CC1=C(Nc2ccc(O)cc2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O |
|
GD010732 | -2.37 | 663.43 | C21H27O14N7P2 | NC(=O)c1cncc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c1 |
|
GD023873 | 0.79 | 527.32 | C19H22O5N5I | C[C@H](Cc1ccc(O)c(I)c1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O |
|
GD005005 | -0.77 | 594.61 | C29H38O13 | O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OCC(O)(O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
|
GD024288 | -5.0 | 428.39 | C16H28O13 | CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O |
|
GD025978 | -0.27 | 805.66 | C32H45O17N3P2 | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CNCCCCCCOCc4ccc5ccccc5c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1 |
|
GD009731 | -2.43 | 879.66 | C33H43O21N3P2 | Cc1ccc2ccc(COC(=O)COCCOCC(=O)NC[C@@H]3O[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]4O[C@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)cc2c1 |