Basic information
- Standard SMILES
CCc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(CCOCc3ccccc3)c2C)cc1- InChIKey
ZNHFAIYEXMDZJK-CBNWRBMVSA-N- Molecular formula
- C28H36N2O7
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.25225149
Names & identifiers
- Preferred name
- 1-(2-benzyloxyethyl)-4-[(4-ethylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-methyl-1H-pyrazole
- IUPAC
- (2S,3R,4S,5S,6R)-2-[4-[(4-ethylphenyl)methyl]-5-methyl-1-(2-phenylmethoxyethyl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
SCHEMBL4661727ZNHFAIYEXMDZJK-CBNWRBMVSA-N1-(2-benzyloxyethyl)-4-[(4-ethylphenyl)-methyl]-3-(beta-D-glucopyranosyloxy)-5-methyl-1H-pyrazole1-(2-benzyloxyethyl)-4-[(4-ethylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-methyl-1H-pyrazole
Database identifiers
- PubChem CID
- 69133733
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 658
Related reactions
4 records
Compound notes
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