natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD093689 | -1.75 | 478.47 | C19H26O12S | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)SC)=C[C@@H](O)[C@H]12 |
|
GD093690 | -1.75 | 478.47 | C19H26O12S | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]2C(COC(=O)SC)=C[C@H](O)[C@@H]12 |
|
GD095675 | -1.84 | 498.48 | C23H30O12 | COc1ccc(C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OCC[C@@H]23)cc1 |
|
GD095676 | -1.72 | 496.47 | C23H28O12 | COc1ccc(C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)cc1 |
|
GD095772 | -0.15 | 462.36 | C21H18O12 | O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O |
|
GD095776 | -0.52 | 496.47 | C23H28O12 | C[C@]1(O)CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 |
|
GD095779 | -0.52 | 496.47 | C23H28O12 | C[C@]1(O)CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(O)cc3)[C@@H]21 |
|
GD095814 | -0.22 | 461.43 | C21H23O9N3 | CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)n(Cc3ccccc3)c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD095815 | -0.22 | 461.43 | C21H23O9N3 | CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)n(Cc3ccccc3)c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD095816 | -0.1 | 463.48 | C23H29O9N | Cc1oc2cc3oc(=O)c(CC(=O)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c(C)c3cc2c1C |