SMILES:
CCCCCCCCCCCCCCCCCCOC1CC(COc2ccc3c(c2)C(O)(c2ccc(Cl)cc2)c2ccccc2-3)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCCMolecular Processing
Molecular formula
C80H133ClO5
Molecular weight
1210.39
Exact mass
1208.9842
XLogP
25.33
TPSA
57.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
58
Heavy atoms
86
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.775
Molar refractivity
371.51
Supplementary Information
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