Glycoside
GD125862
Name:
Hypochoeroside LFormula:
C21H32O8Smiles:
C=C(C)C1CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CC=C(C(=O)O)C2C1Aglycone:
C=C(C)C1CCC2(C)C(O)CC=C(C(=O)O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50904
Formula: C15H22O3
Smiles:
C=C(C)C1CCC2(C)C(O)CC=C(C(=O)O)C2C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
