synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD062632 | -2.51 | 373.35 | C12H15O7N5S | Nc1nc2c(nc(SCC(=O)O)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 |
|
GD052024 | -0.86 | 314.25 | C12H14O8N2 | O=C(O)c1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-] |
|
GD105752 | -3.32 | 667.48 | C22H33O14N6P2 | CC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 |
|
GD071182 | -1.66 | 396.36 | C16H20O8N4 | CC(=O)OC[C@@H]1OC[C@@](OC(C)=O)(N2C=N[C@H]3C(=O)NC=N[C@@H]32)[C@@H]1OC(C)=O |
|
GD071170 | -1.66 | 396.36 | C16H20O8N4 | CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(N2C=N[C@H]3C(=O)NC=N[C@@H]32)[C@@H]1OC(C)=O |
|
GD041613 | -3.04 | 249.26 | C10H19O6N | O=C(CN1CCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO |
|
GD104931 | 2.79 | 464.47 | C25H24O7N2 | Cc1ccc(C(=O)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2OC(=O)c2ccc(C)cc2)cc1 |
|
GD089123 | -0.33 | 427.45 | C20H29O9N | CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
|
GD089217 | -0.33 | 427.45 | C20H29O9N | CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
|
GD082918 | -0.86 | 406.55 | C18H34O6N2S | CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 |