Glycoside
GD119596
Name:
Hyuganoside IvFormula:
C20H28O11Smiles:
CC(C)(O)C1Oc2ccc(CCC(=O)O)c(OC3OC(CO)C(O)C(O)C3O)c2C1OAglycone:
CC(C)(O)C1Oc2ccc(CCC(=O)O)c(O)c2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.43 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD47951
Formula: C14H18O6
Smiles:
CC(C)(O)C1Oc2ccc(CCC(=O)O)c(O)c2C1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.29 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
