CCc1ccc(Cc2cccc3c4c(sc23)[C@@]2(OCC4)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
SMILES: CCc1ccc(Cc2cccc3c4c(sc23)[C@@]2(OCC4)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

Molecular Processing

Molecular formula
C25H28O6S
Molecular weight
456.56
Exact mass
456.1607
XLogP
2.25
TPSA
99.38
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
121.76

Supplementary Information

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