TPCN03895

Name Buxmicrophyllines E
Molecular Formula C40H54N2O4
Molecular Weight 626.88
CAS Registry Number 1112989-51-1
SMILES CC(C1C(OC(=O)c2ccccc2)CC2(C)C3CCC4C(C)(CO)C(NC(=O)c5ccccc5)CCC45CC35CCC12C)N(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus microphylla Aerial parts 0.000371% J Nat Prod, 2009, 72, 308-311. 10.1021/np800719h
Properties
HBA 6 HBD 2
HeavyAtoms 46 AlogP 6.98
TPSA 78.87 RotatableBonds 7
FractionCSP3 0.65 Rings 7
AromaticRings 2 AliphaticRings 5