natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD092659 | 0.76 | 446.95 | C20H27O6N2ClS | CC1CCN(C(=O)C[C@@H]2O[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)[C@@H](O)[C@H]2O)CC1 |
|
GD092662 | 0.41 | 429.52 | C22H31O4N5 | CN(Cc1ccccc1)Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)nn1 |
|
GD092663 | 0.5 | 434.51 | C21H26O6N2S | CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O |
|
GD092665 | 0.35 | 446.41 | C22H22O10 | COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 |
|
GD092666 | 0.35 | 446.41 | C22H22O10 | COc1ccc(-c2coc3cc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)ccc3c2=O)cc1O |
|
GD092667 | 0.35 | 446.41 | C22H22O10 | COc1ccc(-c2coc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1O |
|
GD092670 | 0.74 | 446.53 | C22H26O6N2S | Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CC(=O)N3CCc4ccccc43)[C@H](O)[C@@H]2O)cc1 |
|
GD092671 | 0.38 | 447.46 | C22H26O6N3F | O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)c1ccco1 |
|
GD092674 | 0.24 | 429.47 | C22H27O6N3 | O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)[C@H](O)[C@@H]1O)c1ccco1 |
|
GD092675 | 0.43 | 432.5 | C21H24O6N2S | O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCc2ccccc21 |