TPCN02554

Name Nagarines A
Molecular Formula C24H39NO6
Molecular Weight 437.58
CAS Registry Number 2414926-18-2
SMILES CCN1CC2(COC)CCC(O)C34C5CC(C(CO)OC)CC5C(=O)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum nagarum Roots 0.000733% Fitoterapia 135, 1-4 (2019). 10.1016/j.fitote.2019.03.021
Properties
HBA 7 HBD 2
HeavyAtoms 31 AlogP 0.96
TPSA 88.46 RotatableBonds 7
FractionCSP3 0.96 Rings 5
AromaticRings 0 AliphaticRings 5