TPCN05126

Name Nb-dimethylcycloxobuxoviricine
Molecular Formula C26H41NO2
Molecular Weight 399.62
CAS Registry Number 934371-96-7
SMILES CC(C1C(O)CC2(C)C3CCC4C(C)(C)C(=O)C=CC45CC35CCC12C)N(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus hyrcana Leaves 0.000326% Chem Biodivers 3, 1039-1052 (2006) 10.1002/cbdv.200690102
Properties
HBA 3 HBD 1
HeavyAtoms 29 AlogP 4.69
TPSA 40.54 RotatableBonds 2
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5