TPCN05858

Name Pterocaryoside b
Molecular Formula C35H58O9
Molecular Weight 622.84
CAS Registry Number 168146-27-8
SMILES C=C(C)C1CCC2(C)C(CC(OC3OCC(O)C(O)C3O)C3C(C(C)(O)CC=CC(C)(C)O)CCC32C)C1(C)CCC(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Juglandaceae Cyclocarya paliurus Leaves 0.000056% Bioorg Chem. 2020 Jan;95:103493. 10.1016/j.bioorg.2019.103493
Properties
HBA 9 HBD 6
HeavyAtoms 44 AlogP 4.19
TPSA 156.91 RotatableBonds 10
FractionCSP3 0.86 Rings 4
AromaticRings 0 AliphaticRings 4