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. 2021 Aug 17;9:708331. doi: 10.3389/fcell.2021.708331

TABLE 1.

Molecular properties of TMEA.

Property Value
Canonical SMILES COC1C(OC)CC2C3C1OC(= O)
C1C3C(OC2 = O)C(C(C1)O)OC
Formula C17H12O8
Molecular weight (g/mol) 344.27
Rotatable bonds 3
H-bond acceptors 8
H-bond donors 1
TPSA (A2) 108.34
XLOGP3 2.08
Bioavailability Score 0.55