SMILES:
C[C@]12CC[C@@H]3c4c(cc(OS(C)(=O)=O)cc4OS(C)(=O)=O)CC[C@@H]3[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H]2OS(C)(=O)=OMolecular Processing
Molecular formula
C22H32O12S4
Molecular weight
616.75
Exact mass
616.0777
XLogP
1.52
TPSA
173.48
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
136.82
Supplementary Information
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