(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 5459865
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| Topological Polar Surface Area | 269.0 |
|---|---|
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 33.0 |
| Description | 1-Kestose is a fructooligosaccharide. An oligosaccharide is a saccharide polymer containing a small number (typically three to six) of component sugars, also known as simple sugars. They are generally found either O- or N-linked to compatible amino acid side chains in proteins or to lipid moieties. [HMDB]. 1(F)-beta-Fructosyl-sucrose is found in garden onion. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 655.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 13.0 |
| Iupac Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -6.0 |
| Superclass | Organooxygen compounds |
| Is Pains | False |
| Subclass | Glycosyl compounds |
| Molecular Formula | C17H30O16 |
| Inchi Key | WKVUDSJSOXZCJX-VUOLFOLFSA-N |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | [b-D-Fru-(2->1)]2-a-D-glup, [beta-D-Fru-(2->1)]2-alpha-D-glup, [β-D-fru-(2->1)]2-α-D-glup, 1-Fructosylsucrose, 1-Kestose, 1-Kestotriose, 1(F)-b-D-Fructosylsucrose, 1(F)-beta-D-Fructosylsucrose, 1(F)-β-D-fructosylsucrose, 1F-b-D-Fructosylsucrose, 1F-beta-D-Fructosylsucrose, 1F-β-D-fructosylsucrose, alpha-D-Fructofuranosyl-alpha-D-fructofuranosyl-alpha-D-glucopyranoside, b-D-Fru-(2->1)-b-D-fru-(2->1)-a-D-glup, b-D-Fructofuranosyl-(2->1)-b-D-fructofuranosyl a-D-glucopyranoside, beta-D-Fru-(2->1)-beta-D-fru-(2->1)-alpha-D-glup, beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside, beta-D-Fruf-(2->1)-beta-D-fruf-(2->1)-alpha-D-glup, DQR, O-b-D-Fructofuranosyl-(2->1)-O-b-D-fructofuranosyl-(2->1)-a-D-glucopyranoside, O-beta-D-Fructofuranosyl-(2->1)-O-beta-D-fructofuranosyl-(2->1)-alpha-D-glucopyranoside, O-β-D-fructofuranosyl-(2->1)-O-β-D-fructofuranosyl-(2->1)-α-D-glucopyranoside, Panose, β-D-fru-(2->1)-β-D-fru-(2->1)-α-D-glup, β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyl α-D-glucopyranoside |
| Substituent Name | O-glycosyl compound, Disaccharide, C-glycosyl compound, Oxane, Oxolane, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Kingdom | Organic compounds |
| Exact Mass | 490.153 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 490.153 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 490.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 13.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H30O16/c18-1-5-8(21)11(24)12(25)15(30-5)33-16(13(26)9(22)6(2-19)31-16)4-29-17(28)14(27)10(23)7(3-20)32-17/h5-15,18-28H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12-,13+,14+,15-,16+,17+/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all