Structure Info
- Chemspace ID
- CSSS00159262692 (In-Stock Screening Compounds)
- MFCD
- MFCD30724965
- IUPAC Name
- (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-one
- Mol formula
- C33H44O16
- Mol weight
- 697 Da
- Catalog Number(s)
- 43374, 43374-0.025G, 43374-0.1G, A987474, AA00CIFW, AF83672, AG00CIIO, AR00CJ7O, ArZ-UP481022, BD00931242, CFN90714, CSC159262692, FA74501, FS-7090, HY-N2212, TN1396, U103960, Y3309540, ZX-CY002798, ZXC370153
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.6
- Heavy atoms count
- 49
- Rotatable bond count
- 13
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.606
- Polar surface area (Å)
- 233
- Hydrogen bond acceptors count
- 15
- Hydrogen bond donors count
- 7
- Zoom the structure
- CSSS00159262692
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