TPCN03804

Name Latifoloside E;Urs-12-en-28-oic acid, 3-[(O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-glucopyranosyl-(1??3)]-??-L-arabinopyranosyl)oxy]-19-hydroxy-, ??-D-glucopyranosyl ester, (3??,20??)- (9CI, ACI)
Molecular Formula C53H86O22
Molecular Weight 1075.25
CAS Registry Number 194661-51-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C(=O)OC7OC(CO)C(O)C(O)C7O)(CCC(C)C6(C)O)CCC45C)C3(C)C)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Mussaenda pubescens Aerial parts 0.000625% Phytochemistry 45, 1073-1078 (1997). 10.1016/s0031-9422(97)00089-7
Rubiaceae Mussaenda pubescens Aerial parts 0.000375% Phytochemistry 45, 1073-1078 (1997). 10.1016/s0031-9422(97)00089-7
Aquifoliaceae Ilex latifolia Barks 0.000340% Chem Pharm Bull (Tokyo) . 2001 Feb;49(2):239-41 10.1248/cpb.49.239
Properties
HBA 22 HBD 13
HeavyAtoms 75 AlogP -1.40
TPSA 353.90 RotatableBonds 10
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9