synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106886 | 0.83 | 522.54 | C22H26O9N4S | CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccccc3)n2N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106887 | 0.83 | 522.54 | C22H26O9N4S | CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccccc3)n2N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112559 | 4.36 | 682.03 | C34H28O13NCl | CC(=O)C[C@@H]1O[C@H](Oc2c3c(c(Cl)c4cccc([N+](=O)[O-])c24)C(=O)c2cc(C)ccc2C3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD112558 | 4.36 | 682.03 | C34H28O13NCl | CC(=O)C[C@@H]1O[C@H](Oc2c3c(c(Cl)c4cccc([N+](=O)[O-])c24)C(=O)c2cc(C)ccc2C3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112560 | 4.36 | 682.03 | C34H28O13NCl | CC(=O)C[C@@H]1O[C@H](Oc2c3c(c(Cl)c4cccc([N+](=O)[O-])c24)C(=O)c2cc(C)ccc2C3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD106889 | 0.93 | 552.53 | C26H32O13 | CO[C@@H]1O[C@H](c2ccccc2O[C@@H]2O[C@H](CC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)CC(=O)[C@H]1O |
|
GD106890 | 0.93 | 552.53 | C26H32O13 | CO[C@@H]1O[C@H](c2ccccc2O[C@@H]2O[C@H](CC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)CC(=O)[C@@H]1O |
|
GD106888 | 0.93 | 552.53 | C26H32O13 | CO[C@@H]1O[C@H](c2ccccc2O[C@@H]2O[C@H](CC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)CC(=O)[C@H]1O |
|
GD109922 | 2.58 | 664.38 | C25H22O12N5Br | CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1N1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2cc(Br)c([N+](=O)[O-])cc21 |
|
GD109921 | 2.58 | 664.38 | C25H22O12N5Br | CC(=O)O[C@@H]1CO[C@H](N2C(=O)/C(=N\Nc3ccc([N+](=O)[O-])cc3)c3cc(Br)c([N+](=O)[O-])cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O |