TPCN03950

Name 3-O-??-D-glucopyranosyl betulinic acid 28-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl ester;3-O-b-D-glucopyranosyl betulinic acid 28-O-glucopyranosyl (1??6)-b-D-glucopyranosyl ester
Molecular Formula C48H78O18
Molecular Weight 943.13
CAS Registry Number 194474-46-9
SMILES C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Cussonia racemosa Leaves 0.001120% Chem Pharm Bull (Tokyo). 2002. 50, 1290-1293. 10.1248/cpb.50.1290.
Rubiaceae Mussaenda pubescens Aerial parts 0.000250% Phytochemistry 45, 1073-1078 (1997). 10.1016/s0031-9422(97)00089-7
Properties
HBA 18 HBD 11
HeavyAtoms 66 AlogP 0.00
TPSA 294.98 RotatableBonds 10
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8