synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106574 | -0.83 | 678.59 | C28H38O19 | CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106575 | -0.83 | 678.59 | C28H38O19 | CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD113851 | 6.25 | 582.69 | C36H38O7 | CC(=O)O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |
|
GD113192 | 5.54 | 607.83 | C31H21O9Cl3 | CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1 |
|
GD107080 | 0.66 | 524.61 | C27H40O10 | C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO |
|
GD107081 | 0.66 | 524.61 | C27H40O10 | C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
|
GD107079 | 0.87 | 554.55 | C28H30O10N2 | COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
|
GD083069 | -0.06 | 400.39 | C19H20O6N4 | Cn1c(N[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)nc2ncc(-c3ccccc3)cc21 |
|
GD107429 | 0.97 | 613.6 | C30H33O12N2 | COC(=O)[C@@H]1O[C@H]([n+]2cccc([C@@H]3C[C@@H](OC(=O)c4ccccc4)C(=O)N3C)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD106360 | -0.55 | 572.57 | C28H32O11N2 | O=C(CN1C(=O)[C@@H](N[C@H](CCc2ccccc2)C(=O)O)CCc2ccccc21)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |