natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119152 | 2.66 | 524.65 | C28H44O9 | C=C1CCC(O)C2(C)CCC(C(C)C)C(OC3OC(COC(C)=O)C(OC(=O)C(C)=CC)C(O)C3O)C12 |
|
GD119153 | -2.37 | 935.86 | C43H51O23 | COc1cc(C2=C(OC3OC(COC4OC(C)C(OC(=O)C=Cc5ccc(O)cc5)C(O)C4O)C(O)C(O)C3O)C=C3C(OC4OC(C[OH2+])C(O)C(O)C4O)=CC(O)=CC3O2)cc(O)c1O |
|
GD119154 | -2.33 | 582.51 | C26H30O15 | Cc1cc(=O)c2c(O)c3c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc(O)cc3cc2o1 |
|
GD119155 | 1.01 | 985.17 | C50H80O19 | CCC(O)C1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(C(=O)O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O |
|
GD119156 | 4.98 | 797.04 | C46H68O11 | CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCc6ccccc6)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1 |
|
GD119157 | -6.96 | 2144.31 | C100H158O49 | C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC2CC3(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(OC5OC(CO)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O)OC1OCC(O)C(O)C1O |
|
GD119158 | -1.57 | 451.47 | C19H33O11N | CCOC1C(C(O)COC2OC(CO)C(O)C(O)C2N=C(C)O)OC2OC(C)(C)OC21 |
|
GD119159 | -0.72 | 1000.19 | C50H81O19N | CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
|
GD119160 | 6.75 | 544.86 | C35H60O4 | CC(CCC(O)C(O)C(O)CO)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3C=CC21C |
|
GD119161 | -1.01 | 722.65 | C30H42O20 | COC1OCC(OC(C)=O)C(OC2OCC(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O |