TPCN02515

Name Circinasine D
Molecular Formula C31H43NO8
Molecular Weight 557.68
CAS Registry Number 939972-78-8
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(O)CC(O)(C(CC23O)C14)C5C6OC(=O)c1ccc(OC)cc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000875% J Nat Prod 70, 876-879 (2007). 10.1021/np0700117
Properties
HBA 9 HBD 3
HeavyAtoms 40 AlogP 1.87
TPSA 117.92 RotatableBonds 7
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6