synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106425 | -0.25 | 657.67 | C28H36O12N3FS | CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
|
GD104169 | 0.41 | 492.61 | C25H34O7NS | CCC[N@@H+](CCc1cccs1)[C@H]1CCc2c(cccc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1 |
|
GD113429 | 5.94 | 590.84 | C35H58O7 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C |
|
GD113428 | 5.94 | 590.84 | C35H58O7 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C |
|
GD077331 | -0.77 | 398.48 | C20H32O7N | CC[C@@H](c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)[C@@H](C)C[NH+](C)C |
|
GD040952 | -1.26 | 192.17 | C7H12O6 | CC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O |
|
GD111243 | 3.35 | 580.48 | C26H29O13P | CC(=O)O[C@@H]1O[C@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD113199 | 5.27 | 580.59 | C34H28O9 | C[C@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |
|
GD114120 | 5.28 | 698.86 | C36H42O10S2 | CS(=O)(=O)OC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OS(C)(=O)=O |
|
GD111244 | 3.17 | 516.63 | C26H44O10 | CC(C)(C)C(=O)OC[C@@H](O)[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C |