synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106588 | -0.03 | 789.1 | C18H22O8N3I3 | CC(=O)Nc1c(I)c(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I |
|
GD106338 | -0.42 | 550.56 | C27H34O12 | COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC |
|
GD106231 | -2.39 | 525.24 | C11H22O13N5P3 | CO[C@@H]1[C@H](O)[C@@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21 |
|
GD105979 | -4.38 | 575.43 | C19H26O12N7P | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[C@@H]2[C@@H](CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O)[C@@H](O)[C@H]1O |
|
GD093724 | -7.53 | 482.64 | C21H48O7N5 | C[NH2+][C@H](C)[C@H]1CC[C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3OC[C@](C)(O)[C@H]([NH2+]C)[C@H]3O)[C@H]2O)O1 |
|
GD105980 | -4.38 | 575.43 | C19H26O12N7P | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O[PH](O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H]1O |
|
GD043260 | -3.97 | 262.15 | C6H15O9P | O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO[PH](O)(O)O |
|
GD106238 | -2.65 | 843.68 | C25H48O17N7P3S | CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)(O)O[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O[PH](O)(O)O |
|
GD105697 | -5.02 | 750.47 | C21H35O17N7P3 | 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[PH](O)(O)O)[C@@H](O)[C@H]2O)c1 |
|
GD113866 | 5.28 | 683.68 | C38H29O8N5 | O=C(Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 |