TPCN05322

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]-, ??-D-glucopyranosyl ester, (3??)- (9CI)
Molecular Formula C60H98O26
Molecular Weight 1235.42
CAS Registry Number 197080-59-4
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(O)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 0.004667% J Nat Prod. 1997. 60, 1070-1074. 10.1021/np970263f
Properties
HBA 26 HBD 15
HeavyAtoms 86 AlogP -2.16
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10