TPCN05898

Name Licorice-saponin H2
Molecular Formula C42H62O16
Molecular Weight 822.94
CAS Registry Number 118441-85-3
SMILES CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycyrrhiza inflata Roots 0.150000% Chem Pharm Bull (Tokyo) . 1993 Aug;41(8):1350-7 10.1248/cpb.41.1350
Properties
HBA 16 HBD 8
HeavyAtoms 58 AlogP 2.25
TPSA 267.04 RotatableBonds 7
FractionCSP3 0.86 Rings 7
AromaticRings 0 AliphaticRings 7