TPCN02244

Name Crassicauline A
Molecular Formula C35H49NO10
Molecular Weight 643.77
CAS Registry Number 79592-91-9
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaeli Roots 0.005111% Molecules 17, 5187-5194 (2012). 10.3390/molecules17055187
Properties
HBA 11 HBD 1
HeavyAtoms 46 AlogP 2.72
TPSA 122.22 RotatableBonds 10
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6