SMILES:
COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21CMolecular Processing
Molecular formula
C27H31NO8S
Molecular weight
529.61
Exact mass
529.177
XLogP
3.42
TPSA
128.98
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
130.27
Supplementary Information
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