TPCN01045

Name Hypochoeroside D
Molecular Formula C30H32O11
Molecular Weight 568.58
CAS Registry Number 123693-87-8
SMILES C=C1C(=O)OC2C3C(COC4OC(CO)C(O)C(O)C4O)=CC(=O)C3=C(C)CC(OC(=O)C=Cc3ccccc3)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Hypochaeris radicata Roots 0.003341% Phytochemistry 165: 112047.(2019) 10.1016/j.phytochem.2019.05.020
Properties
HBA 11 HBD 4
HeavyAtoms 41 AlogP 0.37
TPSA 169.05 RotatableBonds 7
FractionCSP3 0.43 Rings 5
AromaticRings 1 AliphaticRings 4