CCc1ccc(Cc2cc3c(cc2Cl)OC(CO)CC32OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
SMILES: CCc1ccc(Cc2cc3c(cc2Cl)OC(CO)CC32OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1

Molecular Processing

Molecular formula
C52H53ClO7
Molecular weight
825.44
Exact mass
824.348
XLogP
10.2
TPSA
75.61
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
60
Rings
8
Aromatic rings
6
Saturated rings
1
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
233.9

Supplementary Information

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