TPCN03967

Name Buxmicrophyllines J
Molecular Formula C36H54N2O3
Molecular Weight 562.84
CAS Registry Number 1246032-04-1
SMILES CC(C1C(OC(=O)c2ccccc2)CC2(C)C3CCC4C5(C)COC(C)(C)NC5CCC45CC35CCC12C)N(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus microphylla Aerial parts 0.000220% Chem Biodivers, 2010, 7, 1822-1827. 10.1002/cbdv.200900259
Properties
HBA 5 HBD 1
HeavyAtoms 41 AlogP 6.92
TPSA 50.80 RotatableBonds 4
FractionCSP3 0.81 Rings 7
AromaticRings 1 AliphaticRings 6