TPCN01933

Name Microjaponin
Molecular Formula C33H38O10
Molecular Weight 594.66
CAS Registry Number 1630939-09-1
SMILES CC(=O)OCC12C(OC(=O)c3ccccc3)CC3C(OC(=O)c4ccccc4)C1(OC3(C)C)C(C)CC(OC(C)=O)C2O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Microtropis japonica Stems 0.000046% Chem Biodivers 11(8): 1241-1246.(2014) 10.1002/cbdv.201400066
Properties
HBA 10 HBD 1
HeavyAtoms 43 AlogP 3.89
TPSA 134.66 RotatableBonds 7
FractionCSP3 0.52 Rings 5
AromaticRings 2 AliphaticRings 3