TPCN02388

Name Circinadines A
Molecular Formula C32H45NO9
Molecular Weight 587.71
CAS Registry Number 886438-47-7
SMILES CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(O)(C(CC23)C14)C5C6OC(=O)c1ccc(OC)cc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.001850% Chem Pharm Bull (Tokyo) 54, 117-118 (2006). 10.1248/cpb.54.117
Properties
HBA 10 HBD 3
HeavyAtoms 42 AlogP 1.49
TPSA 127.15 RotatableBonds 8
FractionCSP3 0.78 Rings 7
AromaticRings 1 AliphaticRings 6