synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD043303 | -2.26 | 282.26 | C10H14O4N6 | NNc1nc[nH]c2c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)nnc1-2 |
|
GD043321 | -2.26 | 282.26 | C10H14O4N6 | NNc1nc[nH]c2c([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)nnc1-2 |
|
GD107829 | 1.94 | 502.31 | C20H24O9NBr | CC(=O)OC[C@H]1O[C@@H](Nc2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD050594 | -1.67 | 318.35 | C12H18O6N2S | Cc1ccc(S(=O)(=O)N/N=C/[C@H](O)[C@H](O)[C@H](O)CO)cc1 |
|
GD050593 | -1.67 | 318.35 | C12H18O6N2S | Cc1ccc(S(=O)(=O)N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)cc1 |
|
GD099798 | 0.69 | 457.53 | C24H31O6N3 | COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNC(=O)c3ccc(N(C)C)cc3)[C@@H](O)[C@H]2O)cc1 |
|
GD099839 | 0.78 | 457.5 | C24H28O5N3F | O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)[C@@H](O)[C@@H]1O)c1cccc(F)c1 |
|
GD107113 | 0.85 | 510.01 | C24H28O6N3ClS | O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@@H]1O)N1CCN(c2ccccc2)CC1 |
|
GD107112 | 0.51 | 501.51 | C25H28O7N3F | O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)c1ccc2c(c1)OCO2 |
|
GD099837 | 0.78 | 457.5 | C24H28O5N3F | O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)c1ccccc1 |