CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(CC3CC3)c2C)cc1
SMILES: CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(CC3CC3)c2C)cc1

Molecular Processing

Molecular formula
C22H30N2O6S
Molecular weight
450.56
Exact mass
450.1825
XLogP
1.09
TPSA
117.2
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
115.11

Supplementary Information

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