TPCN03678

Name 11alpha,16beta,23,28-Tetrahydroxyolean-12-en-3beta-yl-[beta-D-glucopyranosyl-(1-- >2)]-[beta-D-glucopyranosyl-(1-->3)]-beta-D-fucopyranoside;11??,16??,23,28tetrahydroxyolean-12-en-3??-yl-[??-D-glucopyranosyl(1?? 2)]-[??-D-glucopyranosyl(1?? 3)]-??-D-fucopyranoside
Molecular Formula C48H80O19
Molecular Weight 961.15
CAS Registry Number 146519-05-3
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C(O)C=C3C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.001550% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Aquifoliaceae Ilex pubescens Roots 0.001222% Planta Med 79, 70-77 (2013). 10.1055/s-0032-1327927
Properties
HBA 19 HBD 13
HeavyAtoms 67 AlogP -1.44
TPSA 318.37 RotatableBonds 10
FractionCSP3 0.96 Rings 8
AromaticRings 0 AliphaticRings 8