TPCN01073

Name 11,13-Dehydrolactuside C
Molecular Formula C21H26O9
Molecular Weight 422.43
CAS Registry Number 1431554-69-6
SMILES C=C1C(=O)OC2C1CC(OC1OC(CO)C(O)C(O)C1O)C(C)=C1C(=O)C=C(C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Lactuca canadensis Roots 0.002892% Phytochemistry 90: 90-94.(2013) 10.1016/j.phytochem.2013.02.005
Properties
HBA 9 HBD 4
HeavyAtoms 30 AlogP -0.87
TPSA 142.75 RotatableBonds 3
FractionCSP3 0.62 Rings 4
AromaticRings 0 AliphaticRings 4