TPCN01221

Name Polymatin B
Molecular Formula C23H28O8
Molecular Weight 432.47
CAS Registry Number 72023-37-1
SMILES C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)=CC)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Smallanthus sonchifolius Leaves 0.001250% J Agric Food Chem 63(50): 10856-10861.(2015) 10.1021/acs.jafc.5b05229
Properties
HBA 8 HBD 0
HeavyAtoms 31 AlogP 2.73
TPSA 105.20 RotatableBonds 4
FractionCSP3 0.48 Rings 2
AromaticRings 0 AliphaticRings 2