TPCN03277

Name Flavaconitine
Molecular Formula C31H41NO11
Molecular Weight 603.67
CAS Registry Number 83145-43-1
SMILES COCC12CCC(O)C34C(NC1)C(C(OC)C23)C1(OC(C)=O)C(O)C(OC)C2(O)CC4(O)C1C2OC(=O)c1ccccc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum nagarum Roots 0.020000% Planta Med 2005; 71: 1073±1076 10.1055/s-2005-873135
Properties
HBA 12 HBD 5
HeavyAtoms 43 AlogP -0.59
TPSA 173.24 RotatableBonds 7
FractionCSP3 0.74 Rings 7
AromaticRings 1 AliphaticRings 6