OCc1cc(C2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(Cl)cc1Cl
SMILES: OCc1cc(C2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(Cl)cc1Cl

Molecular Processing

Molecular formula
C41H40Cl2O6
Molecular weight
699.67
Exact mass
698.2202
XLogP
8.9
TPSA
66.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
49
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.268
Molar refractivity
191.15

Supplementary Information

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