TPCN05772
Name | ??-D-Glucopyranosiduronic acid, (3??,15??,16??,22??)-15,16,22,28-tetrahydroxyolean-12-en-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-galactopyranosyl-(1??3)-O-[??-D-glucopyranosyl-(1??2)]- (9CI, ACI) |
Molecular Formula | C54H88O25 |
Molecular Weight | 1137.27 |
CAS Registry Number | 60197-41-3 |
SMILES | CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(CO)C(O)C(O)C56C)C4(C)C)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Theaceae | Ternstroemia japonica | Fruits | 0.000663% | J Nat Prod. 2003 Oct;66(10):1351-5 | 10.1021/np0301644. |
Properties
HBA | 25 | HBD | 16 |
HeavyAtoms | 79 | AlogP | -3.53 |
TPSA | 414.59 | RotatableBonds | 12 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |