synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD085598 | 0.8 | 412.79 | C17H17O7N4Cl | CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD085599 | 0.8 | 412.79 | C17H17O7N4Cl | CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD085597 | 0.8 | 412.79 | C17H17O7N4Cl | CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD078813 | 0.17 | 395.38 | C19H17O5N5 | N#Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NC(=O)c3ccccc3)c12 |
|
GD078815 | 0.17 | 395.38 | C19H17O5N5 | N#Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NC(=O)c3ccccc3)c12 |
|
GD078814 | 0.17 | 395.38 | C19H17O5N5 | N#Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(NC(=O)c3ccccc3)c12 |
|
GD078816 | 0.17 | 395.38 | C19H17O5N5 | N#Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(NC(=O)c3ccccc3)c12 |
|
GD108651 | 1.88 | 596.59 | C24H24O12N2S2 | CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108650 | 1.88 | 596.59 | C24H24O12N2S2 | CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108647 | 1.7 | 595.6 | C25H25O12NS2 | CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |