TPCN01137

Name Enhydrofolin
Molecular Formula C43H52O16
Molecular Weight 824.87
CAS Registry Number 1826843-02-0
SMILES C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC(C)C(C)(O)C(=O)OC3C(OC(C)=O)C(C(=O)OC)=CCCC4(C)OC4C4OC(=O)C(=C)C34)CC(OC(=O)C(C)=CC)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Smallanthus sonchifolius Leaves 0.001875% J Agric Food Chem 63(50): 10856-10861.(2015) 10.1021/acs.jafc.5b05229
Properties
HBA 16 HBD 1
HeavyAtoms 59 AlogP 3.69
TPSA 216.86 RotatableBonds 9
FractionCSP3 0.56 Rings 5
AromaticRings 0 AliphaticRings 5