TPCN01695

Name Crepiside I
Molecular Formula C29H34O11
Molecular Weight 558.58
CAS Registry Number 100187-59-5
SMILES C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ixeris dentata Roots 0.000192% Arch Pharm Res 29, 937-941(2006) 10.1002/cbdv.201700144
Properties
HBA 11 HBD 5
HeavyAtoms 40 AlogP 0.28
TPSA 172.21 RotatableBonds 6
FractionCSP3 0.52 Rings 5
AromaticRings 1 AliphaticRings 4