TPCN03331

Name Flavaconidine
Molecular Formula C32H41NO12
Molecular Weight 631.68
CAS Registry Number 125286-17-1
SMILES COCC12CCC(O)C34C(C(C(OC)C13)C1(OC(C)=O)C(O)C(OC)C3(O)CC4(O)C1C3OC(=O)c1ccccc1)N(C=O)C2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum nagarum Roots 0.000075% Planta Med 2005; 71: 1073±1076 10.1055/s-2005-873135
Properties
HBA 13 HBD 4
HeavyAtoms 45 AlogP -0.73
TPSA 181.52 RotatableBonds 8
FractionCSP3 0.72 Rings 7
AromaticRings 1 AliphaticRings 6