TPCN03810

Name (3??)-3-[(4-O-??-D-Glucopyranosyl-??-D-glucopyranosyl)oxy]olean-12-en-28-oic acid
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 60299-42-5
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Derris eriocarpa Stems 0.000583% J Agric Food Chem 65, 2357-2363 (2017). 10.1021/acs.jafc.7b00137
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 2.88
TPSA 215.83 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7