TPCN05894

Name Apioglycyrrhizin
Molecular Formula C41H62O14
Molecular Weight 778.93
CAS Registry Number 121709-66-8
SMILES CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)(CO)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycyrrhiza inflata Roots 0.320000% Chem Pharm Bull (Tokyo) . 1993 Aug;41(8):1350-7 10.1248/cpb.41.1350
Properties
HBA 14 HBD 7
HeavyAtoms 55 AlogP 2.79
TPSA 229.74 RotatableBonds 7
FractionCSP3 0.88 Rings 7
AromaticRings 0 AliphaticRings 7