SMILES:
CCCCCC(C)(O)CSC1C(O)CC(O)C1CC=CCCCC(=O)OMolecular Processing
Molecular formula
C20H36O5S
Molecular weight
388.57
Exact mass
388.2283
XLogP
3.36
TPSA
97.99
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
26
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
106.38
Supplementary Information
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