TPCN01610

Name Ixerin Z1
Molecular Formula C29H32O11
Molecular Weight 556.56
CAS Registry Number 420803-81-2
SMILES C=C1C(=O)OC2C1CCC(C)=C1C(=O)C(OC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)=C(C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ixeris sonchifolia Leaves 0.000267% J Asian Nat Prod Res 3(4): 247-251.(2001) 10.1080/10286020108040363
Properties
HBA 11 HBD 4
HeavyAtoms 40 AlogP 0.98
TPSA 169.05 RotatableBonds 6
FractionCSP3 0.48 Rings 5
AromaticRings 1 AliphaticRings 4