TPCN03705

Name Olean-12-en-28-oic acid, 23-hydroxy-3-[(O-??-D-ribopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??2)-??-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??,4??)- (ACI)
Molecular Formula C70H114O35
Molecular Weight 1515.65
CAS Registry Number 1219504-04-7
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)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone hupehensis Whole plants 0.001070% Chem Pharm Bull (Tokyo), 2009, 57, 1425-1430. 10.1248/cpb.57.1425
Properties
HBA 35 HBD 20
HeavyAtoms 105 AlogP -6.26
TPSA 550.89 RotatableBonds 18
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12