Structure Info
- Chemspace ID
- CSSS09881015791 (In-Stock Screening Compounds)
- IUPAC Name
- (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 6-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-2-carboxylate
- Mol formula
- C42H52O26
- Mol weight
- 973 Da
- Catalog Number(s)
- ArZ-UP483833, CFN95466, ZX-CY005609
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -3.49
- Heavy atoms count
- 68
- Rotatable bond count
- 16
- Number of rings
- 7
- Carbon bond saturation, Fsp3
- 0.571
- Polar surface area (Å)
- 414
- Hydrogen bond acceptors count
- 23
- Hydrogen bond donors count
- 14
- Zoom the structure
- CSSS09881015791
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