CC(=O)OCC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)c5ccc(C)cc5)CCC4(C)C3C(=O)CC12C
SMILES: CC(=O)OCC(=O)C1CCC2C3CCC4CC(OS(=O)(=O)c5ccc(C)cc5)CCC4(C)C3C(=O)CC12C

Molecular Processing

Molecular formula
C30H40O7S
Molecular weight
544.71
Exact mass
544.2495
XLogP
5.04
TPSA
103.81
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
140.48

Supplementary Information

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