SMILES:
COc1cc(C)c(C(=O)CCCCCCCCC(=O)O)c(O)c1OCMolecular Processing
Molecular formula
C19H28O6
Molecular weight
352.43
Exact mass
352.1886
XLogP
4.11
TPSA
93.06
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
94.85
Supplementary Information
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