synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD105746 | -1.42 | 660.61 | C26H32O16N2S | CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2SC1 |
|
GD105747 | -1.42 | 660.61 | C26H32O16N2S | CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)[C@@H]2SC1 |
|
GD106674 | -0.66 | 675.59 | C28H37O18N | CC(=O)OC[C@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#N)OC(C)=O |
|
GD106675 | -0.66 | 675.59 | C28H37O18N | CC(=O)OC[C@H](OC(C)=O)[C@@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#N)OC(C)=O |
|
GD108758 | 1.35 | 621.45 | C27H25O5N8Br | Nc1ncnc2c1[nH]/c(=N\N=C1/C(=O)c3cc(Br)ccc3N1C/C=C/c1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|
GD109988 | 2.53 | 628.58 | C31H32O14 | CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)O[C@H](c2ccc(OC(C)=O)cc2)C3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD113124 | 5.2 | 637.69 | C37H35O9N | COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OC(C)=O)[C@H](OCc3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)cc1 |
|
GD106317 | -0.75 | 650.58 | C27H38O18 | CO[C@@H]1O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD106318 | -0.75 | 650.58 | C27H38O18 | CO[C@@H]1O[C@H](COC(C)=O)[C@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD112667 | 4.96 | 818.88 | C20H19O10Br5 | CC(=O)OC[C@H]1O[C@H](Oc2c(Br)c(Br)c(Br)c(Br)c2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |