TPCN00858

Name Cnicin
Molecular Formula C20H26O7
Molecular Weight 378.42
CAS Registry Number 24394-09-0
SMILES C=C(C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(=C)C21)C(O)CO
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Cephaloziaceae Aegialophila pumila Aerial parts 0.026667% Planta Med 50(1): 115.(1984) 10.1055/s-2007-969644
Properties
HBA 7 HBD 3
HeavyAtoms 27 AlogP 0.95
TPSA 113.29 RotatableBonds 5
FractionCSP3 0.50 Rings 2
AromaticRings 0 AliphaticRings 2