Structure Info
- Chemspace ID
- CSSS00137410251 (In-Stock Screening Compounds)
- MFCD
- MFCD20260776
- IUPAC Name
- (2S,3R,4S,5S,6R)-2-{4-[(1E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- Mol formula
- C21H24O8
- Mol weight
- 404 Da
- Catalog Number(s)
- AA00EGSZ, AG00EGVR, AR00EHKR, ArZ-UP486789, BBP01142, BD299133, CD32000903, CFN98995, CSC137410251, FS-10051, HY-N3058, TN5643, W2086, Y3313866, ZX-CY008565
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.28
- Heavy atoms count
- 29
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 129
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 5
- Zoom the structure
- CSSS00137410251
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