TPCN05215

Name Buxmicrophyllines R
Molecular Formula C36H54N2O5
Molecular Weight 594.84
CAS Registry Number 2195459-07-3
SMILES COc1cc(C(=O)OC2CC3(C)C4CCC5C6(C)COC(C)NC6CCC56CC46CCC3(C)C2C(C)N(C)C)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus microphylla Aerial parts 0.000050% Molecules 21, (2016) 10.3390/molecules21091125
Properties
HBA 7 HBD 2
HeavyAtoms 43 AlogP 6.24
TPSA 80.26 RotatableBonds 5
FractionCSP3 0.81 Rings 7
AromaticRings 1 AliphaticRings 6