TPCN05261

Name ??-D-Glucopyranosiduronic acid, (3??,16??,21??,22??)-13,28-epoxy-16-hydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-22-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]oleanan-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-galactopyranosyl-(1??3)-O-[??-D-galactopyranosyl-(1??2)]- (ACI)
Molecular Formula C68H100O27
Molecular Weight 1349.52
CAS Registry Number 2241034-71-7
SMILES CC=C(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C23COC4(CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Myrsinaceae Maesa argentea Leaves 0.033091% Planta Med. 2016. 82, 1568-1575. 10.1055/s-0042-118189
Properties
HBA 27 HBD 13
HeavyAtoms 95 AlogP 0.49
TPSA 415.73 RotatableBonds 16
FractionCSP3 0.81 Rings 11
AromaticRings 1 AliphaticRings 10