TPCN03116

Name Swatinine B
Molecular Formula C32H46N2O8
Molecular Weight 586.73
CAS Registry Number 22413-78-1
SMILES CCN1CC2(COC(=O)c3ccccc3N)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 0.000058% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Properties
HBA 10 HBD 4
HeavyAtoms 42 AlogP 1.72
TPSA 132.94 RotatableBonds 8
FractionCSP3 0.78 Rings 7
AromaticRings 1 AliphaticRings 6