O=C(O)c1cc(NS(=O)(=O)c2ccc3c(S(=O)(=O)Nc4cc(C(=O)O)cc(C(=O)O)c4)cc(S(=O)(=O)Nc4cc(C(=O)O)cc(C(=O)O)c4)cc3c2)cc(C(=O)O)c1
SMILES: O=C(O)c1cc(NS(=O)(=O)c2ccc3c(S(=O)(=O)Nc4cc(C(=O)O)cc(C(=O)O)c4)cc(S(=O)(=O)Nc4cc(C(=O)O)cc(C(=O)O)c4)cc3c2)cc(C(=O)O)c1

Molecular Processing

Molecular formula
C34H23N3O18S3
Molecular weight
857.76
Exact mass
857.0139
XLogP
3.43
TPSA
362.31
H-bond donors
9
H-bond acceptors
12
Rotatable bonds
15
Heavy atoms
58
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
24
Covalent units
1
Fraction Csp3
0
Molar refractivity
197.46

Supplementary Information

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