COC1(c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)OC(C=O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
SMILES: COC1(c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)OC(C=O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

Molecular Processing

Molecular formula
C46H47ClO8
Molecular weight
763.33
Exact mass
762.2959
XLogP
8.64
TPSA
81.68
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
19
Heavy atoms
55
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.326
Molar refractivity
209.85

Supplementary Information

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