TPCN03723

Name Pedunculoside
Molecular Formula C36H58O10
Molecular Weight 650.85
CAS Registry Number 42719-32-4
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex rotunda Barks 0.022222% Chem Biodivers 14(2). 10.1002/cbdv.201600209
Araliaceae Panax japonicus Aerial parts 0.001000% J Nat Prod 65, 346-351 (2002). 10.1021/np010354j
Rosaceae Rubus crataegifolius Roots 0.000778% Arch Pharm Res . 2001 Oct;24(5):412-5 10.1007/BF02975185
Rosaceae Rubus ellipticus Roots 0.000167% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 2.44
TPSA 177.14 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6