natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114633 | 3.52 | 1107.29 | C57H86O21 | COC1CC(OC2CCC3(C)C(CCC4C3C(OC(=O)c3ccccc3)C(OC(C)=O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1 |
|
GD114634 | -12.18 | 900.78 | C33H56O28 | OCC1OC(OC2C(O)C(CO)OC(OC3C(O)COC(OC4COC(OC5C(CO)OC(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C3O)C2O)C(O)C(O)C1O |
|
GD114635 | 0.1 | 434.35 | C20H18O11 | O=c1c(OC2OCC(O)C(O)C2O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12 |
|
GD114636 | 0.86 | 1131.31 | C56H90O23 | COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(C)O2)C(C)O1 |
|
GD114637 | -1.14 | 294.3 | C12H22O8 | COC(COC(C)=O)C(O)C(OC)C(CO)OC(C)=O |
|
GD114638 | -1.52 | 1205.39 | C59H96O25 | CC1OC(OC2C(O)C(C)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC56C)C4(C)C)OCC(O)C3O)C2O)C(O)C(O)C1O |
|
GD114639 | 6.67 | 821.11 | C49H72O10 | CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)C5C=CC(CC3(C)C21C)C4C(C)(CO)C(OC1OCC(O)C(O)C1O)C5OCc1ccccc1 |
|
GD114640 | 5.21 | 1107.38 | C56H98O21 | CCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)OC(CO)C(O)C5O)C(OC(=O)CCCCCCC)C2O)C(O)C1O |
|
GD114641 | -2.43 | 1091.25 | C53H86O23 | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD114642 | -2.78 | 432.38 | C18H24O12 | CC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(OCC3OC(O)C(O)C(O)C3O)C12 |