TPCN02849

Name Avadharidine
Molecular Formula C36H51N3O10
Molecular Weight 685.82
CAS Registry Number 509-16-0
SMILES CCN1CC2(COC(=O)c3ccccc3NC(=O)CCC(N)=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kirinense Whole plants 0.000203% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Properties
HBA 13 HBD 5
HeavyAtoms 49 AlogP 1.34
TPSA 179.11 RotatableBonds 12
FractionCSP3 0.75 Rings 7
AromaticRings 1 AliphaticRings 6