TPCN01943

Name Crepidiaside A
Molecular Formula C21H26O9
Molecular Weight 422.43
CAS Registry Number 101921-36-2
SMILES C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Achillea collina Whole plants 0.000043% Magn Reson Chem 45(3): 275-278.(2007) 10.1002/mrc.1953
Properties
HBA 9 HBD 4
HeavyAtoms 30 AlogP -0.86
TPSA 142.75 RotatableBonds 4
FractionCSP3 0.62 Rings 4
AromaticRings 0 AliphaticRings 4