synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110338 | 2.71 | 578.57 | C30H30O10N2 | CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110337 | 2.6 | 661.64 | C30H31O14NS | CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD110335 | 2.6 | 661.64 | C30H31O14NS | CCOC(=O)c1oc2cc(OC[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD106950 | 0.53 | 536.49 | C24H28O12N2 | CC(=O)O[C@H](C(=O)NCc1ccco1)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NCc1ccco1 |
|
GD042773 | -1.32 | 284.26 | C13H16O7 | O=Cc1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 |
|
GD105753 | -4.43 | 668.47 | C21H32O14N7P2 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 |
|
GD106150 | -3.68 | 650.72 | C12H26O18S6 | CS(=O)(=O)OC[C@H](OS(C)(=O)=O)[C@H](OS(C)(=O)=O)[C@H](OS(C)(=O)=O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O |
|
GD112934 | 4.51 | 746.55 | C33H22O17N4 | O=C(O[C@@H]1CO[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 |
|
GD105798 | -3.29 | 668.45 | C18H37O14N7P3 | [NH3+]CCCCCCNC(=O)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
|
GD106456 | -0.91 | 764.65 | C31H36O17N6 | CC(=O)OC[C@@H]1O[C@H](n2ccc(NC(=O)Nc3ccn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=O)n3)nc2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |