TPCN05806

Name ??-D-Glucopyranosiduronic acid, (3??,16??)-16-(acetyloxy)-28-(??-D-glucopyranosyloxy)olean-12-en-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-galactopyranosyl-(1??3)-O-[??-D-glucopyranosyl-(1??2)]- (9CI)
Molecular Formula C62H100O29
Molecular Weight 1309.45
CAS Registry Number 625081-44-9
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)CCC12COC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Ternstroemia japonica Fruits 0.000269% J Nat Prod. 2003 Oct;66(10):1351-5 10.1021/np0301644.
Properties
HBA 29 HBD 16
HeavyAtoms 91 AlogP -3.08
TPSA 459.35 RotatableBonds 16
FractionCSP3 0.94 Rings 10
AromaticRings 0 AliphaticRings 10