TPCN05316

Name Oleanan-29-oic acid, 3-[(O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-glucopyranosyl-(1??4)-O-[??-D-glucopyranosyl-(1??2)]-??-L-arabinopyranosyl)oxy]-13,28-epoxy-16-hydroxy-, (3??,16??,20??)- (ACI)
Molecular Formula C53H86O23
Molecular Weight 1091.25
CAS Registry Number 151625-83-1
SMILES CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C(=O)O)CC85)C(O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Myrsinaceae Ardisia japonica Leaves 0.005333% J Nat Prod. 1993. 56, 1669-1675. 10.1021/np50100a002
Properties
HBA 23 HBD 13
HeavyAtoms 76 AlogP -1.62
TPSA 363.13 RotatableBonds 11
FractionCSP3 0.98 Rings 10
AromaticRings 0 AliphaticRings 10