TPCN01029

Name Ixerisoside A
Molecular Formula C29H34O11
Molecular Weight 558.58
CAS Registry Number 132341-19-6
SMILES C=C1CC(OC(=O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ixeris dentata Whole plants 0.003667% Planta Med 77(4): 380-382.(2011) 10.1055/s-0030-1250369
Properties
HBA 11 HBD 5
HeavyAtoms 40 AlogP 0.28
TPSA 172.21 RotatableBonds 6
FractionCSP3 0.52 Rings 5
AromaticRings 1 AliphaticRings 4