synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD113261 | 5.55 | 588.83 | C35H56O7 | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C=C[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
|
GD108545 | 1.52 | 642.61 | C32H34O14 | CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(O)cc5c(oc(=O)c6c(C)ccc(C(=O)O)c65)c34)O[C@H](C)[C@H](O)[C@H]2O)O[C@@H](C)[C@H]1O |
|
GD108544 | 1.52 | 642.61 | C32H34O14 | CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(O)cc5c(oc(=O)c6c(C)ccc(C(=O)O)c65)c34)O[C@H](C)[C@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O |
|
GD045859 | -0.94 | 283.28 | C13H17O6N | CC(=O)c1ccc(N[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)cc1 |
|
GD045858 | -0.94 | 283.28 | C13H17O6N | CC(=O)c1ccc(N[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)cc1 |
|
GD045857 | -0.94 | 283.28 | C13H17O6N | CC(=O)c1ccc(N[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)cc1 |
|
GD045869 | -0.94 | 283.28 | C13H17O6N | CC(=O)c1ccc(N[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 |
|
GD013496 | 0.18 | 343.34 | C16H17O4N5 | OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1O |
|
GD047327 | -1.99 | 321.39 | C14H29O6N2 | CO[C@@H]1[C@@H](O)[C@H](NC(=O)CC(C)(C)O)[C@@H](C)O[C@H]1OCC[NH3+] |
|
GD085295 | 0.85 | 417.46 | C19H31O9N | CCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O |