2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose

Details

• Internal ID: 716996fb-a926-4b53-afa2-5edc1cf2fdb3
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• 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
• SMILES (Canonical): CC1C(C(C(C(O1)OC2C(C(C(OC2O)CO)O)O)O)O)O
• SMILES (Isomeric): 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
• 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
• InChI Key: VSRVRBXGIRFARR-OUEGHFHCSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₂O₁₀
• Molecular Weight: 326.30 g/mol
• Exact Mass: 326.12129689 g/mol
• Topological Polar Surface Area (TPSA): 169.00 Ų
• XlogP: -3.70

Synonyms

• (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
• GlyTouCan:G13233ZQ
• RefChem:1048455
• DTXCID701841119
• G13233ZQ
• 17074-02-1
• DTXSID20937829
• Neohesperidose
• 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
• C08244
• alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose
• Neohesperidoside
• AC1L9B54
• 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose
• SureCN6521257
• Ambap17074-02-1
• SCHEMBL6521257
• CHEBI:73992
• 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

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.36%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.05%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	89.95%	95.93%
CHEMBL3589	P55263	Adenosine kinase	86.76%	98.05%
CHEMBL3714130	P46095	G-protein coupled receptor 6	86.47%	97.36%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.09%	86.92%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.52%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 441426
• LOTUS: LTS0213224
• wikiData: Q3347120