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 |