TPCN05292

Name Olean-12-en-28-oic acid, 3-[(O-??-D-glucopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??2)-??-L-arabinopyranosyl)oxy]-16-hydroxy-, O-6-deoxy-??-L-mannopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl ester, (3??,16??)- (9CI, ACI)
Molecular Formula C65H106O31
Molecular Weight 1383.53
CAS Registry Number 261767-94-6
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)CC5O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Trevesia palmata Leaves 0.007750% J Nat Prod. 2000. 63, 308-314 10.1021/np990231n
Properties
HBA 31 HBD 18
HeavyAtoms 96 AlogP -4.72
TPSA 491.97 RotatableBonds 15
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11