OCc1cc(C2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl
Name: alcohol
SMILES: OCc1cc(C2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl

Molecular Processing

Molecular formula
C41H41ClO6
Molecular weight
665.23
Exact mass
664.2592
XLogP
8.25
TPSA
66.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
48
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.268
Molar refractivity
186.14

Supplementary Information

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