natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD006968 | 2.79 | 778.93 | C41H62O14 | CC1(C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
|
GD006970 | 2.33 | 720.9 | C39H60O12 | CCCCOC(C)(C)C=CC(O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)[C@@]3(C)C(=O)C[C@]12C |
|
GD006980 | -2.34 | 278.3 | C6H14O8S2 | CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O |
|
GD006981 | 8.57 | 647.77 | C37H60O6Cl2 | CCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1 |
|
GD006990 | -3.45 | 362.33 | C15H22O10 | C[C@@]12O[C@H]1[C@H](O)[C@]1(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12 |
|
GD006993 | 1.04 | 494.54 | C25H34O10 | OC[C@@H]1O[C@H](O[C@H](CCCCc2ccc(O)c(O)c2)CCc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |
|
GD007019 | -0.55 | 512.6 | C26H40O10 | C[C@]1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC[C@]2(C)[C@@H]3C4CC5CC3(CC[C@H]12)[C@H](O)[C@@]5(CO)O4 |
|
GD007022 | -3.29 | 534.51 | C23H34O14 | COc1cc(C=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD007023 | -0.16 | 376.36 | C19H20O8 | O=C(c1ccccc1)c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1 |
|
GD007025 | 4.55 | 488.62 | C28H40O7 | CC(=O)O[C@@H]1[C@H](O)[C@H](Oc2c(O)c(C)c3c4c2[C@H](C)CC[C@H]4[C@H](C)C[C@H]3C=C(C)C)O[C@H](C)[C@H]1O |