2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
PubChem CID: 441426
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| Compound Synonyms | 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose, C08244, alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose, Neohesperidoside, AC1L9B54, 2-O-alpha-L-Rhamnosyl-D-glucose, SureCN6521257, Ambap17074-02-1, SCHEMBL6521257, CHEBI:73992, 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose, alpha-L-Rhap-(1->2)-beta-D-Glcp, 2-O-alpha-l-rhamnosyl-beta-d-glucose, 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose, Q3347120, 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose, (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2,4,5-triol, (2S,3R,4R,5R,6S)-2-methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | VSRVRBXGIRFARR-OUEGHFHCSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-O-(alpha-L-Rhamnopyranosyl)-beta-D-glucopyranose, 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose, 6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose, alpha-L-Rhap-(1->2)-beta-D-GLCP, Neohesperidose, 2-O-(a-L-Rhamnopyranosyl)-b-D-glucopyranose, 2-O-(Α-L-rhamnopyranosyl)-β-D-glucopyranose, 2-O-a-L-Rhamnopyranosyl-D-glucopyranose, 2-O-Α-L-rhamnopyranosyl-D-glucopyranose, 6-Deoxy-a-L-mannopyranosyl-(1->2)-b-D-glucopyranose, 6-Deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranose, a-L-Rhap-(1->2)-b-D-GLCP, Α-L-rhap-(1->2)-β-D-GLCP, a-L-Rhamnopyranosyl-(1->2)-b-D-glucopyranose, α-L-rhamnopyranosyl-(1->2)-β-D-glucopyranose |
| Heavy Atom Count | 22.0 |
| Compound Name | 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose |
| Kingdom | Organic compounds |
| Description | Neohesperidoside, also known as 2-O-alpha-L-rhamnopyranosyl-D-glucopyranose or alpha-L-rhap-(1->2)-beta-D-glcp, is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Neohesperidoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Neohesperidoside can be found in lemon, which makes neohesperidoside a potential biomarker for the consumption of this food product. Neohesperidoside is the disaccharide which is present in some flavonoids. It can be found in species of typha, in species of typha angustifolia . |
| Exact Mass | 326.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 326.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3R,4R,5R,6S)-2-methyl-6-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Total Atom Stereocenter Count | 10.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Organooxygen compounds |
| Inchi | InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O)O)O)O |
| Xlogp | -3.7 |
| Superclass | Organic oxygen compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Taxonomy Direct Parent | O-glycosyl compounds |
| Molecular Formula | C12H22O10 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all