COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CCOS(C)(=O)=O)CCC3)cc1
SMILES: COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2ccc3c(c2)N(CCOS(C)(=O)=O)CCC3)cc1

Molecular Processing

Molecular formula
C40H54N2O9S
Molecular weight
738.94
Exact mass
738.355
XLogP
6.72
TPSA
113.07
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
52
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.525
Molar refractivity
200.72

Supplementary Information

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