TPCN02994

Name Nagarines B
Molecular Formula C26H41NO7
Molecular Weight 479.61
CAS Registry Number 2414926-20-6
SMILES CCN1CC2(COC)CCC(O)C34C5CC(C(COC(C)=O)OC)CC5C(=O)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum nagarum Roots 0.000111% Fitoterapia 135, 1-4 (2019). 10.1016/j.fitote.2019.03.021
Properties
HBA 8 HBD 1
HeavyAtoms 34 AlogP 1.53
TPSA 94.53 RotatableBonds 8
FractionCSP3 0.92 Rings 5
AromaticRings 0 AliphaticRings 5