TPCN01127

Name Divaricin B
Molecular Formula C25H34O9
Molecular Weight 478.54
CAS Registry Number 79721-99-6
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
Apiaceae Carpesium triste Whole plants 0.002000% Arch Pharm Res 30(5): 556-560.(2007) 10.1007/bf02977648
Properties
HBA 9 HBD 2
HeavyAtoms 34 AlogP 2.11
TPSA 128.59 RotatableBonds 4
FractionCSP3 0.64 Rings 3
AromaticRings 0 AliphaticRings 3