TPCN05367

Name Olean-12-en-28-oic acid, 3-[(O-??-D-glucopyranosyl-(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)-??-D-glucopyranosyl ester, (3??)- (9CI)
Molecular Formula C71H116O35
Molecular Weight 1529.67
CAS Registry Number 261767-90-2
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Trevesia palmata Leaves 0.002375% J Nat Prod. 2000. 63, 308-314 10.1021/np990231n
Properties
HBA 35 HBD 20
HeavyAtoms 106 AlogP -5.87
TPSA 550.89 RotatableBonds 18
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12