Glycoside
GD116924
Name:
hederifolioside cFormula:
C64H104O32Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(OCC2OC(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 12 |
| HBD: | 18 | FractionCSP3: | 0.98 |
| AlogP: | -6.25 | Num_rotatable_bonds: | 17 |
| MolWt: | 1385.5 | Num_heavy_atoms: | 96 |
| TPSA: | 501.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD01925
Formula: C30H48O4
Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD04956
OCC1OC(OCC2OC(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O