Structure Info
- Chemspace ID
- CSSS00159262670 (In-Stock Screening Compounds)
- IUPAC Name
- 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
- Mol formula
- C21H22O9
- Mol weight
- 418 Da
- Catalog Number(s)
- ArZ-UP481063, CFN90755, CSC159262670, FS-7109, HY-N8911, LN03251860, TMA1841, ZX-CY002839
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.11
- Heavy atoms count
- 30
- Rotatable bond count
- 4
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 146
- Hydrogen bond acceptors count
- 9
- Hydrogen bond donors count
- 5
- Zoom the structure
- CSSS00159262670
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