TPCN05219

Name Buxmicrophyllines Q
Molecular Formula C37H56N2O6
Molecular Weight 624.86
CAS Registry Number 2195459-06-2
SMILES COc1cc(C(=O)OC2CC3(C)C4CCC5C6(C)COC(C)NC6CCC56CC46CCC3(C)C2C(C)N(C)C)cc(OC)c1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus microphylla Aerial parts 0.000040% Molecules 21, (2016) 10.3390/molecules21091125
Properties
HBA 8 HBD 2
HeavyAtoms 45 AlogP 6.25
TPSA 89.49 RotatableBonds 6
FractionCSP3 0.81 Rings 7
AromaticRings 1 AliphaticRings 6