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 |