TPCN01388

Name Tectroside
Molecular Formula C30H36O12
Molecular Weight 588.61
CAS Registry Number 124960-89-0
SMILES C=C1CC(OC(=O)C(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 0.000583% Planta Med 77(4): 380-382.(2011) 10.1055/s-0030-1250369
Properties
HBA 12 HBD 6
HeavyAtoms 42 AlogP -0.36
TPSA 192.44 RotatableBonds 7
FractionCSP3 0.53 Rings 5
AromaticRings 1 AliphaticRings 4