3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium chloride
Structure Info
- Chemspace ID
- CSSS00159262405 (In-Stock Screening Compounds)
- MFCD
- MFCD21363975, MFCD10566840
- IUPAC Name
- 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium chloride
- Mol formula
- C26H29ClO16
- Mol weight
- 633 Da
- Catalog Number(s)
- 0948, A237789, AA00DGNJ, AG00DGQB, AG28011, AGN-PC-0SEJ2R, AR00DHFB, ArZ-UP482111, BD123702, CFN92171, CM162886, CSC159262405, D209775, FS-7562, HY-129143, LN02182749, OD45120, TN1566, Y3220074, ZX-CY003887, ZXC307644
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.34
- Heavy atoms count
- 43
- Rotatable bond count
- 6
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.423
- Polar surface area (Å)
- 273
- Hydrogen bond acceptors count
- 16
- Hydrogen bond donors count
- 11
- Zoom the structure
- CSSS00159262405
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