TPCN05746

Name ??-D-Glucopyranosiduronic acid, (3??,16??,22??)-16-(acetyloxy)-22,28-dihydroxyolean-12-en-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-galactopyranosyl-(1??3)-O-[??-D-glucopyranosyl-(1??2)]- (9CI)
Molecular Formula C56H90O25
Molecular Weight 1163.31
CAS Registry Number 625081-41-6
SMILES CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Ternstroemia japonica Fruits 0.001206% J Nat Prod. 2003 Oct;66(10):1351-5 10.1021/np0301644.
Properties
HBA 25 HBD 14
HeavyAtoms 81 AlogP -1.93
TPSA 400.43 RotatableBonds 13
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9