TPCN04070

Name Buxmicrophyllines F
Molecular Formula C37H54N2O4
Molecular Weight 590.85
CAS Registry Number 1112989-52-2
SMILES CC(C)C(=O)NC1CCC23CC24CCC2(C)C(C(C)N(C)C)C(OC(=O)c5ccccc5)CC2(C)C4C=CC3C1(C)CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus microphylla Aerial parts 0.000093% J Nat Prod, 2009, 72, 308-311. 10.1021/np800719h
Properties
HBA 6 HBD 2
HeavyAtoms 43 AlogP 6.10
TPSA 78.87 RotatableBonds 7
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5