TPCN05317

Name Olean-12-en-28-oic acid, 3-[(O-6-deoxy-??-L-mannopyranosyl-(1??4)-O-6-deoxy-??-L-mannopyranosyl-(1??6)-O-??-D-galactopyranosyl-(1??4)-??-D-glucopyranosyl)oxy]-, 3-O-??-D-glucopyranosyl-??-D-glucopyranosyl ester, (3??)- (9CI)
Molecular Formula C66H108O31
Molecular Weight 1397.56
CAS Registry Number 197080-63-0
SMILES CC1OC(OC2C(C)OC(OCC3OC(OC4C(CO)OC(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)CCC67C)C5(C)C)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Trevesia sundaica Aerial parts 0.005267% J Nat Prod. 1997. 60, 1070-1074. 10.1021/np970263f
Properties
HBA 31 HBD 18
HeavyAtoms 97 AlogP -4.33
TPSA 491.97 RotatableBonds 16
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11