TPCN03973

Name Olean-12-en-28-oic acid, 3-[(O-??-D-ribopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-glucopyranosyl-(1??4)]-??-L-arabinopyranosyl)oxy]-, O-??-D-glucopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??6)-O-??-D-glucopyranosyl ester, (3??)- (ACI)
Molecular Formula C76H124O39
Molecular Weight 1661.79
CAS Registry Number 1219504-03-6
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(OC8OC(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone hupehensis Whole plants 0.000203% Chem Pharm Bull (Tokyo), 2009, 57, 1425-1430. 10.1248/cpb.57.1425
Properties
HBA 39 HBD 22
HeavyAtoms 115 AlogP -7.41
TPSA 609.81 RotatableBonds 20
FractionCSP3 0.96 Rings 13
AromaticRings 0 AliphaticRings 13