synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110550 | 2.6 | 613.6 | C28H27O11N3S | COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD110551 | 2.6 | 613.6 | C28H27O11N3S | COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD044551 | -2.65 | 288.22 | C9H12O7N4 | Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-] |
|
GD110552 | 2.6 | 613.6 | C28H27O11N3S | COc1ccc(-c2c(C#N)c(O)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD044559 | -2.65 | 288.22 | C9H12O7N4 | Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-] |
|
GD045817 | -0.51 | 298.32 | C11H14O4N4S | C[C@H](O)[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H](O)[C@H]1O |
|
GD045698 | -0.51 | 298.32 | C11H14O4N4S | C[C@@H](O)[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H](O)[C@H]1O |
|
GD045688 | -0.51 | 298.32 | C11H14O4N4S | C[C@H](O)[C@@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H](O)[C@H]1O |
|
GD045673 | -0.51 | 298.32 | C11H14O4N4S | C[C@@H](O)[C@@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H](O)[C@H]1O |
|
GD041230 | -3.33 | 150.15 | C5H12O4N | [NH3+][C@@H]1[C@H](O)OC[C@H](O)[C@@H]1O |