Name: 3-(β-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole
SMILES:
CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1Molecular Processing
Molecular formula
C18H24N2O6S
Molecular weight
396.47
Exact mass
396.1355
XLogP
0.21
TPSA
128.06
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
98.75
Supplementary Information
Details werden geladen…
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