TPCN05706

Name ??-D-Glucopyranosiduronic acid, (3??,15??,16??)-28-(??-D-glucopyranosyloxy)-15,16-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 C60H98O29
Molecular Weight 1283.42
CAS Registry Number 625081-43-8
SMILES CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(COC7OC(CO)C(O)C(O)C7O)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 0.004309% J Nat Prod. 2003 Oct;66(10):1351-5 10.1021/np0301644.
Properties
HBA 29 HBD 18
HeavyAtoms 89 AlogP -4.68
TPSA 473.51 RotatableBonds 15
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10