TPCN05266

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-(1-oxobutoxy)oleanan-3-yl O-??-D-glucopyranosyl-(1??2)-O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-galactopyranosyl-(1??3)-O-[??-D-galactopyranosyl-(1??2)]- (ACI)
Molecular Formula C69H110O32
Molecular Weight 1451.61
CAS Registry Number 2241034-68-2
SMILES CC=C(C)C(=O)OC1C(OC(=O)CCC)C23COC4(CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8OC8OC(CO)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 0.026182% Planta Med. 2016. 82, 1568-1575. 10.1055/s-0042-118189
Properties
HBA 32 HBD 16
HeavyAtoms 101 AlogP -2.60
TPSA 494.88 RotatableBonds 19
FractionCSP3 0.93 Rings 11
AromaticRings 0 AliphaticRings 11