natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD003884 | 1.11 | 572.52 | C28H28O13 | Cc1c(O)c(C(=O)c2ccccc2)c(O)c(C)c1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |
|
GD003885 | 3.55 | 454.65 | C26H46O6 | C=C[C@](C)(CC[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]21C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O |
|
GD003886 | -8.9 | 614.65 | C23H46O13N6 | NCC1OC(OC2C(N)CC(N)[C@H](O)[C@H]2OC2O[C@H](CO)[C@H](O[C@@H]3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O |
|
GD003888 | 5.88 | 746.0 | C42H67O10N | CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@H]2CC(=O)O1 |
|
GD003894 | -0.84 | 1313.47 | C60H96O29S | CO[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@H](OC5CC[C@]6(C)[C@@H]7CCC89C(=O)O[C@](C)(CCCC(C)C)C8[C@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@H](OS(=O)(=O)O)[C@H]4O)[C@@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)OC[C@H]2O)O[C@H](CO)[C@H]1O |
|
GD003901 | -2.12 | 150.09 | C4H6O6 | O=C(O)C(O)C(O)C(=O)O |
|
GD003910 | -2.46 | 413.42 | C19H27O9N | CC(C)(O)[C@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc21 |
|
GD003914 | -3.25 | 179.17 | C6H13O5N | N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@H]1O |
|
GD003919 | 0.15 | 406.39 | C20H22O9 | OC[C@@H]1O[C@H](Oc2c(O)cc(O)cc2C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD003920 | 1.93 | 346.46 | C18H34O6 | CCCCCCCCCCCC(=O)OC[C@H](O)[C@@H]1OC[C@H](O)[C@H]1O |