3-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Structure Info
- Chemspace ID
- CSSS00159261871 (In-Stock Screening Compounds)
- CAS
- 361447-29-2
- MFCD
- MFCD31747008
- IUPAC Name
- 3-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
- Mol formula
- C33H40O19
- Mol weight
- 741 Da
- Catalog Number(s)
- AD247901, ArZ-UP483526, CFN95159, CSC159261871, E88859, FS-8267, ZX-CY005302
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.18
- Heavy atoms count
- 52
- Rotatable bond count
- 9
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.54545454545455
- Polar surface area (Å)
- 304
- Hydrogen bond acceptors count
- 19
- Hydrogen bond donors count
- 11
- Zoom the structure
- CSSS00159261871
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