TPCN03977

Name Buxmicrophyllines I
Molecular Formula C36H54N2O6
Molecular Weight 610.84
CAS Registry Number 1112989-54-4
SMILES COc1cc(C(=O)OC2CC3(C)C4CCC5C6(C)COCNC6CCC56CC46CCC3(C)C2C(C)N(C)C)cc(OC)c1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus microphylla Aerial parts 0.000200% J Nat Prod, 2009, 72, 308-311. 10.1021/np800719h
Properties
HBA 8 HBD 2
HeavyAtoms 44 AlogP 5.86
TPSA 89.49 RotatableBonds 6
FractionCSP3 0.81 Rings 7
AromaticRings 1 AliphaticRings 6