Cc1ccc(Cc2cccc3cc(C4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)sc23)cc1
SMILES: Cc1ccc(Cc2cccc3cc(C4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)sc23)cc1

Molecular Processing

Molecular formula
C50H48O5S
Molecular weight
761
Exact mass
760.3222
XLogP
11.21
TPSA
46.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
56
Rings
8
Aromatic rings
7
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
224.58

Supplementary Information

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