OC[C@H]1O[C@@H](c2cc3c(CCc4ccccc4)cccc3s2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](c2cc3c(CCc4ccccc4)cccc3s2)[C@H](O)[C@@H](O)[C@@H]1O

Molecular Processing

Molecular formula
C22H24O5S
Molecular weight
400.5
Exact mass
400.1344
XLogP
2.2
TPSA
90.15
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
108.4

Supplementary Information

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