TPCN03359

Name Chuanfusulfonine A
Molecular Formula C22H33NO7S
Molecular Weight 455.57
CAS Registry Number 2644672-85-3
SMILES CCN1CC2(C)CCC(O)C34C1C(CC23)C12CC(C(=O)CC14)C(O)(CS(=O)(=O)O)C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaelii Roots 0.000010% None 10.1016/j.apsb.2020.01.013
Properties
HBA 8 HBD 4
HeavyAtoms 31 AlogP 0.06
TPSA 135.37 RotatableBonds 3
FractionCSP3 0.95 Rings 6
AromaticRings 0 AliphaticRings 6