c1ccc(COCC2OC(Sc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
SMILES: c1ccc(COCC2OC(Sc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1

Molecular Processing

Molecular formula
C40H40O5S
Molecular weight
632.82
Exact mass
632.2596
XLogP
8.48
TPSA
46.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
46
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
182.11

Supplementary Information

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