natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114163 | -4.05 | 2067.28 | C98H155O45N | C=CC(C)(O)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(COC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7N=C(C)O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O |
|
GD114164 | 1.41 | 941.16 | C49H80O17 | C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12C |
|
GD114165 | 1.88 | 752.94 | C40H64O13 | CC1CCC2(C(=O)OC3OC(O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O |
|
GD114166 | 0.64 | 404.42 | C21H24O8 | OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccccc2)CC3)C(O)C(O)C1O |
|
GD114167 | -1.22 | 286.33 | C13H22O5N2 | CC(O)C(C)Cc1cncc(C(O)C(O)C(O)CO)n1 |
|
GD114168 | 1.66 | 483.6 | C25H41O8N | COc1c(C)[nH]c2c(c1=O)C(CCCCCCC(C)OC1OC(CO)C(O)C(O)C1O)CCC2 |
|
GD114169 | -4.25 | 557.55 | C22H39O15N | COC1C(CO)OC(OC2C(O)C(CO)OC(O)C2N=C(C)O)C(OC2OC(C)C(O)C(O)C2OC)C1O |
|
GD114170 | -2.04 | 324.37 | C14H28O8 | CC(O)C(CCOC1OC(CO)C(O)C(O)C1O)C(C)(C)O |
|
GD114171 | -2.85 | 1063.19 | C51H82O23 | CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)(COC7OC(CO)C(O)C(O)C7O)O6)C(C)C54)C3)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O |
|
GD114172 | -0.92 | 366.37 | C17H22O7N2 | OCC1OC(OCCCc2nc(O)c3ccccc3n2)C(O)C(O)C1O |