6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose

Details

• Internal ID: c10d21c7-67e0-4011-af27-a4bfb5bc19fd
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES (Canonical): CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O
• SMILES (Isomeric): C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O
• InChI: InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1
• InChI Key: OVVGHDNPYGTYIT-BNXXONSGSA-N
• Popularity: 52 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: -4.20

Synonyms

• 6-O-alpha-L-rhamnopyranosyl-D-glucose
• alpha-L-rhamnopyranosyl-(1->6)-D-glucose
• SCHEMBL117741
• CHEBI:27522
• DTXSID401226338
• AKOS040734113
• (alpha-rhamnopyranosyl-beta-glucopyranose
• C08247
• 6-O-alpha-l-rhamnopyranosyl-beta-d-glucopyranose
• 6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside
• Q259374
• (2R,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol

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	93.95%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	91.24%	95.93%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.82%	91.11%
CHEMBL3714130	P46095	G-protein coupled receptor 6	86.19%	97.36%
CHEMBL3401	O75469	Pregnane X receptor	85.01%	94.73%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.08%	86.92%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.91%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.64%	86.33%

Plants that contains it

• Forsythia suspensa
• Juncus effusus

Cross-Links

• PubChem: 441429
• LOTUS: LTS0061610
• wikiData: Q259374