1-acetyl-4-[(4-ethylthiophenyl)-methyl]-3-(beta-D-glucopyranosyloxy)-5-methylpyrazole

HCID 67335735

Basic information

Standard SMILES
CCSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(C(C)=O)c2C)cc1
InChIKey
ZRVGVZNWNUGSEJ-YRIDSSQKSA-N
Molecular formula
C21H28N2O7S
Average molar mass
452.5 g/mol

Names & identifiers

Preferred name
1-acetyl-4-[(4-ethylthiophenyl)-methyl]-3-(beta-D-glucopyranosyloxy)-5-methylpyrazole
IUPAC
1-[4-[(4-ethylsulfanylphenyl)methyl]-5-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrazol-1-yl]ethanone

Names & synonyms

SCHEMBL2253457ZRVGVZNWNUGSEJ-YRIDSSQKSA-N1-acetyl-4-[(4-ethylthiophenyl)-methyl]-3-(beta-D-glucopyranosyloxy)-5-methylpyrazole1-acetyl-4-[(4-ethylthiophenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-methylpyrazole

Database identifiers

PubChem CID
67335735

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
160 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
31

Related reactions

9 records

Linked notes

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