Glycoside
GD136353
Name:
10-Isovaleryl Kanokoside CFormula:
C32H50O18Smiles:
CC(C)CC(=O)OCC1(O)C2OC2C2C(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=COC(OC(=O)CC(C)C)C21Aglycone:
CC(C)CC(=O)OCC1(O)C2OC2C2C(CO)=COC(OC(=O)CC(C)C)C21Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 14 |
| MolWt: | 722.73 | Num_heavy_atoms: | 50 |
| TPSA: | 273.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD55112
Formula: C20H30O8
Smiles:
CC(C)CC(=O)OCC1(O)C2OC2C2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 398.45 | Num_heavy_atoms: | 28 |
| TPSA: | 114.82 | NumAromaticRings: | 0 |
