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
- Formal charge
- 0
- Complexity
- 592
Related reactions
9 records
Linked notes
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