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 |