Cc1ccc(S(=O)(=O)OC[C@]2(COCc3ccccc3)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2OCc2ccccc2)cc1
SMILES: Cc1ccc(S(=O)(=O)OC[C@]2(COCc3ccccc3)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2OCc2ccccc2)cc1

Molecular Processing

Molecular formula
C39H40N2O11S2
Molecular weight
776.89
Exact mass
776.2074
XLogP
4.71
TPSA
169.29
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
15
Heavy atoms
54
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.282
Molar refractivity
197.58

Supplementary Information

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