synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD051099 | -0.08 | 308.29 | C15H16O7 | Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)ccc12 |
|
GD043230 | -2.27 | 268.23 | C10H12O5N4 | O=c1ccc2n[nH]nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|
GD085440 | 0.35 | 406.41 | C16H22O10S | CC(=O)OC[C@@H]1O[C@H](SC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104157 | 1.04 | 478.67 | C18H18O10NCl3 | COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD093474 | -9.88 | 472.56 | C18H42O9N5 | [NH3+]C[C@H]1O[C@@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])C[C@@H]1O |
|
GD105814 | -2.86 | 566.08 | C9H19O14N3P3Br | Nc1nc(=O)n([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Br |
|
GD009810 | -2.87 | 268.23 | C11H12O6N2 | C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=O |
|
GD044657 | -2.87 | 268.23 | C11H12O6N2 | C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O |
|
GD105591 | 5.85 | 464.63 | C28H32O4S | CS[C@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |
|
GD052373 | 0.89 | 320.36 | C13H20O7S | CS[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |