CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCCS(C)(=O)=O)c(C)c1
SMILES: CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(C(=O)NCCS(C)(=O)=O)c(C)c1

Molecular Processing

Molecular formula
C29H43NO5S
Molecular weight
517.73
Exact mass
517.2862
XLogP
4.97
TPSA
92.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
36
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
146.72

Supplementary Information

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