TPCN02635

Name Ouvrardiantine
Molecular Formula C35H49NO11
Molecular Weight 659.77
CAS Registry Number 951765-86-9
SMILES CCN1CC2(COC)CC(O)C(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 ouvrardianum Roots 0.000500% Chem Pharm Bull (Tokyo) 55, 1090-1092 (2007). 10.1248/cpb.55.1090
Properties
HBA 12 HBD 2
HeavyAtoms 47 AlogP 1.69
TPSA 142.45 RotatableBonds 10
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6