TPCN00958

Name 15-p-hydroxyphenylacetyllactucin-8-sulfate
Molecular Formula C23H22O10S
Molecular Weight 490.49
CAS Registry Number 2592377-69-8
SMILES C=C1C(=O)OC2C3C(COS(=O)(=O)O)=CC(=O)C3=C(C)CC(OC(=O)Cc3ccc(O)cc3)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Sonchus palustris Roots 0.006818% Phytochemistry 170: 112196.(2020) 10.1016/j.phytochem.2019.112196
Properties
HBA 10 HBD 2
HeavyAtoms 34 AlogP 1.61
TPSA 153.50 RotatableBonds 6
FractionCSP3 0.35 Rings 4
AromaticRings 1 AliphaticRings 3