Phlorisobutyrophenone 2-glucoside
Basic information
- CAS
17004-75-0- Standard SMILES
CC(C)C(=O)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O- InChIKey
PSBKCHXAPMSDFN-UHFFFAOYSA-N- Molecular formula
- C16H22O9
- Average molar mass
- 358.34 g/mol
- Monoisotopic mass
- 358.12638228
Overview
Phlorisobutyrophenone 2-glucoside is a glycoside.
Names & identifiers
- Preferred name
- Phlorisobutyrophenone 2-glucoside
- IUPAC
- 1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one
Names & synonyms
Phlorisobutyrophenone 2-glucosideCHEBI:1679691-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one
Database identifiers
- CAS
17004-75-0- PubChem CID
- 73009474
- ChEBI
CHEBI:167969
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
Melting Point118 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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