COc1ccc(C(OCC2(COS(=O)(=O)c3ccc(C)cc3)OC(n3cc(C)c(=O)[nH]c3=O)C(O)C2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
SMILES: COc1ccc(C(OCC2(COS(=O)(=O)c3ccc(C)cc3)OC(n3cc(C)c(=O)[nH]c3=O)C(O)C2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

Molecular Processing

Molecular formula
C46H46N2O11S
Molecular weight
834.94
Exact mass
834.2822
XLogP
5.8
TPSA
164.61
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
16
Heavy atoms
60
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
222.52

Supplementary Information

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