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 |
| Heavy Atom Count | 22.0 |
| 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 . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| 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 |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | -3.7 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C12H22O10 |
| 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 |
| Compound Name | 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose |
| Kingdom | Organic compounds |
| Exact Mass | 326.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 326.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all