synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD071007 | -1.0 | 388.3 | C15H17O9N2F | COC(=O)C[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD071008 | -1.96 | 377.26 | C12H15O11N3 | O=[N+]([O-])Oc1ccc(N[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c(O[N+](=O)[O-])c1 |
|
GD062521 | -3.89 | 353.36 | C14H21O5N6 | O=c1[nH]cnc2c1nc(N1CC[NH2+]CC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O |
|
GD058907 | -0.34 | 334.17 | C12H16O5NBr | OC[C@H](O)[C@@H]1O[C@H](Nc2ccc(Br)cc2)[C@@H](O)[C@@H]1O |
|
GD111571 | 3.87 | 688.72 | C34H32O10N4S | CCCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O |
|
GD052994 | -1.67 | 337.34 | C14H19O5N5 | O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O |
|
GD052993 | -1.67 | 337.34 | C14H19O5N5 | O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |
|
GD085401 | 0.1 | 414.37 | C19H18O7N4 | O=C(O)c1cccc(C(=O)CC[C@@H]2O[C@H](n3cnc4c(=O)[nH]cnc43)[C@@H](O)[C@@H]2O)c1 |
|
GD108140 | 1.15 | 656.55 | C30H28O15N2 | C=C(Oc1cc(C(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](OC(C)=O)[C@@H]2OC(=O)c2c(C)cc(O)cc2OC)ccc1O)C(=O)O |
|
GD106271 | -0.86 | 537.54 | C21H31O13NS | COC(=O)[C@@H]1CS[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1CO |