synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112847 | 4.67 | 604.83 | C35H56O8 | C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
|
GD062031 | 0.3 | 342.39 | C17H26O7 | CCCCCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |
|
GD093442 | -1.33 | 492.48 | C24H28O11 | O=C(/C=C/c1ccccc1)O[C@@H]1[C@@H]2O[C@]2(CO)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@H]12 |
|
GD067131 | -2.48 | 374.34 | C16H22O10 | C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@]21O |
|
GD067132 | -2.48 | 374.34 | C16H22O10 | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@]21O |
|
GD079161 | -3.64 | 406.18 | C8H16O11N4P2 | Nc1ncn([C@@H]2O[C@H](CO[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 |
|
GD086439 | -1.46 | 446.34 | C17H19O11N2F | COC(=O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD042618 | 0.7 | 232.28 | C11H20O5 | CO[C@H]1C[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 |
|
GD093652 | -1.07 | 454.35 | C16H18O10N6 | CC(=O)OC[C@H]1O[C@@H](n2c([N+](=O)[O-])nc3c(=O)[nH]c(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD042801 | -3.36 | 274.23 | C10H14O7N2 | O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1CO |