TPCN04243

Name (3??)-3-O-(2??-Acetamido-2??-deoxy-??-D-glucopyranosyl) oleanolic acid
Molecular Formula C38H61NO8
Molecular Weight 659.91
CAS Registry Number 81053-26-1
SMILES CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)OC(CO)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Paullinia pinnata Aerial parts 0.004187% BMC Complement Altern Med 14: 369. 10.1186/1472-6882-14-369
Properties
HBA 9 HBD 5
HeavyAtoms 47 AlogP 5.20
TPSA 145.55 RotatableBonds 5
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6