synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD062302 | 2.34 | 343.38 | C18H21O4N3 | C[C@@H]1O[C@H](Nc2ccc(/N=N\c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD109879 | 2.93 | 592.98 | C29H29O12Cl | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106265 | -0.47 | 526.51 | C24H26O8N6 | O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 |
|
GD109038 | 2.25 | 592.53 | C28H29O13F | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD107827 | 1.87 | 629.62 | C31H35O13N | C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](O)[C@H](O)[C@@H]1O |
|
GD052613 | 0.1 | 304.69 | C12H13O6N2Cl | O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)ccc1Cl |
|
GD053110 | -3.85 | 348.34 | C11H16O7N4S | O=c1[nH]cc(NC(=S)N[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)c(=O)[nH]1 |
|
GD076532 | -0.38 | 387.37 | C14H17O8N3S | CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2ncc(=S)[nH]c2=O)[C@@H]1OC(C)=O |
|
GD076533 | -0.38 | 387.37 | C14H17O8N3S | CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1ncc(=S)[nH]c1=O |
|
GD109039 | 2.44 | 630.6 | C31H34O14 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |