TPCN01054

Name 2alpha,5-epoxy-5,10-dihydroxy-6alpha-angeloyloxy-9beta-(2-methylbutyloxy)-germacr an-8alpha,12-olide
Molecular Formula C25H36O9
Molecular Weight 480.55
CAS Registry Number 247050-76-6
SMILES C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)C1(O)OC(CC1C)CC(C)(O)C2OC(=O)C(C)CC
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium triste Whole plants 0.003158% Arch Pharm Res 30(5): 556-560.(2007) 10.1007/bf02977648
Properties
HBA 9 HBD 2
HeavyAtoms 34 AlogP 2.19
TPSA 128.59 RotatableBonds 5
FractionCSP3 0.72 Rings 3
AromaticRings 0 AliphaticRings 3