synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD107615 | 0.59 | 792.7 | C36H40O20 | CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107617 | 0.98 | 806.72 | C37H42O20 | CC(=O)OC[C@H]1O[C@@H](OC2=C(C)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104579 | 1.48 | 456.49 | C25H28O8 | COc1cc(/C=C2/CCCc3ccccc3C2=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD103629 | 0.09 | 457.53 | C19H23O8NS2 | CCN1C(=O)/C(=C/c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)SC1=S |
|
GD085863 | 0.16 | 417.41 | C21H23O8N | COc1cc(/C=C/C(=O)c2ccccn2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD085067 | -0.5 | 420.42 | C20H24O8N2 | COc1cc(/C=C/C(=O)c2ccnn2C)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD103671 | 0.65 | 456.45 | C23H24O8N2 | COc1cc(/C=C/C(=O)c2nc3ccccc3[nH]2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD092277 | -0.63 | 430.38 | C17H18O6N8 | Nc1ncnc2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |
|
GD092280 | -0.63 | 430.38 | C17H18O6N8 | Nc1ncnc2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O |
|
GD092278 | -0.63 | 430.38 | C17H18O6N8 | Nc1ncnc2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O |