synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD007359 | -3.38 | 281.26 | C10H19O8N | CN(C)CC(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O |
|
GD109857 | 2.86 | 603.61 | C30H25O9N3S | CSc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O |
|
GD113030 | 6.52 | 787.79 | C45H33O9N5 | O=C(OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD070470 | 0.29 | 351.41 | C16H25O4N5 | CCC(CC)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|
GD085255 | 0.38 | 409.39 | C19H23O9N | CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C(=O)O)O[C@H]1OCc1ccccc1 |
|
GD105691 | -4.69 | 751.47 | C21H36O17N7P3 | NC(=O)C1=CN([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[PH](O)(O)O)[C@H]3O)[C@@H](O)[C@H]2O)C=CC1 |
|
GD105778 | -2.17 | 684.56 | C27H32O17N4 | CC(=O)OC[C@@H]1O[C@H](n2c(=O)[nH]c(=O)c3c2[nH]c(=O)n3[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106647 | -2.63 | 843.68 | C25H48O17N7P3S | CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)[C@@H](O[PH](O)(O)O)[C@H]1O |
|
GD105928 | 2.86 | 966.9 | C11H34O34S8 | O=[S@@](O)O[C@H]1[C@H](OS(O)(O)O)[C@](COS(O)(O)O)(O[C@@H]2O[C@H](COS(O)(O)O)[C@@H](OS(O)(O)O)[C@H](OS(O)(O)O)[C@H]2OS(O)(O)O)O[C@@H]1OS(O)(O)O |
|
GD099224 | -0.28 | 478.48 | C20H22O8N4S | CC(=O)O[C@@H]1[C@@H](N2C(=O)/C(=N/NC(N)=S)c3ccccc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O |