TPCN04120

Name Buxmicrophyllines H
Molecular Formula C35H54N2O6
Molecular Weight 598.83
CAS Registry Number 1112989-53-3
SMILES COc1cc(C(=O)NC2CCC34CC35CCC3(C)C(C(C)N(C)C)C(O)CC3(C)C5CCC4C2(C)CO)cc(OC)c1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus microphylla Aerial parts 0.000050% J Nat Prod, 2009, 72, 308-311. 10.1021/np800719h
Properties
HBA 8 HBD 4
HeavyAtoms 43 AlogP 4.84
TPSA 111.49 RotatableBonds 7
FractionCSP3 0.80 Rings 6
AromaticRings 1 AliphaticRings 5