synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD109926 | 2.89 | 697.61 | C32H34O13NF3 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@H](O)[C@H](O)[C@@H]1O |
|
GD082598 | -2.32 | 411.34 | C17H18O8N3F | O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O |
|
GD082599 | -2.32 | 411.34 | C17H18O8N3F | O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O |
|
GD082597 | -2.32 | 411.34 | C17H18O8N3F | O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O |
|
GD021006 | -0.03 | 789.1 | C18H22O8N3I3 | CC(=O)Nc1c(I)c(C(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)c(I)c(N(C)C(C)=O)c1I |
|
GD106464 | -0.03 | 789.1 | C18H22O8N3I3 | CC(=O)Nc1c(I)c(C(=O)N[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I |
|
GD106619 | -0.5 | 519.46 | C20H29O13N3 | CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CC[C@H]([N+](=O)[O-])C[C@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106620 | -0.5 | 519.46 | C20H29O13N3 | CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CC[C@@H]([N+](=O)[O-])C[C@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD070679 | 1.93 | 368.41 | C17H20O7S | CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](Sc2ccccc2)OC[C@H]1OC(C)=O |
|
GD046350 | -0.3 | 285.25 | C12H15O7N | CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](C#N)[C@H]1OC(C)=O |