TPCN02685

Name Circinasine G
Molecular Formula C30H39NO10
Molecular Weight 573.64
CAS Registry Number 939972-81-3
SMILES COCC12C=NC3C4CC1(O)C3(C(OC)CC2O)C1CC2(O)C(OC)CC4(O)C1C2OC(=O)c1ccc(OC)cc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000400% J Nat Prod 70, 876-879 (2007). 10.1021/np0700117
Properties
HBA 11 HBD 4
HeavyAtoms 41 AlogP 0.35
TPSA 156.50 RotatableBonds 7
FractionCSP3 0.73 Rings 7
AromaticRings 1 AliphaticRings 6