synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD093570 | -1.84 | 464.45 | C18H24O12S | CSC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 |
|
GD111264 | 3.25 | 534.69 | C30H46O8 | CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O |
|
GD092779 | 0.34 | 435.42 | C17H17O7N5S | O=[N+]([O-])c1ccc(O)c(CSc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c1 |
|
GD100080 | 0.63 | 468.41 | C21H24O12 | CC(=O)OC[C@H]1O[C@@H](OC(=O)c2ccccc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD067855 | -0.88 | 357.31 | C15H19O9N | COc1ccc(/C=C/[N+](=O)[O-])cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
GD067982 | -0.88 | 357.31 | C15H19O9N | COc1ccc(/C=C/[N+](=O)[O-])cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD040840 | -1.22 | 166.15 | C6H11O4F | C[C@@H]1O[C@@H](O)[C@@H](F)[C@H](O)[C@@H]1O |
|
GD079176 | -0.48 | 426.42 | C6H20O14NS3 | [NH3+][C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](OS(O)(O)O)[C@@H]1OS(O)(O)O |
|
GD079177 | -0.48 | 426.42 | C6H20O14NS3 | [NH3+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](OS(O)(O)O)[C@@H]1OS(O)(O)O |
|
GD067789 | -1.43 | 374.41 | C17H28O8N | CC(=O)OC[C@H]1O[C@@H]([NH+]2CCCCC2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |