alpha-D-galactopyranosyl alpha-D-galactopyranoside

Details

• Internal ID: e77730e7-e3d1-41f0-8e3e-ab76c1e25ed9
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
• SMILES (Canonical): C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)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]([C@H](O2)CO)O)O)O)O)O)O)O
• InChI: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1
• InChI Key: HDTRYLNUVZCQOY-WSWWMNSNSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₂O₁₁
• Molecular Weight: 342.30 g/mol
• Exact Mass: 342.11621151 g/mol
• Topological Polar Surface Area (TPSA): 190.00 Ų
• XlogP: -4.20

Synonyms

• Gal(a1-1a)Gal
• alpha,alpha-galactotrehalose
• SCHEMBL7155159
• CHEBI:153108
• alpha-D-Galp-(1->1)-alpha-D-Galp
• alpha-D-Galp-(1<->1)-alpha-D-Galp
• alpha-D-galacto-hexopyranosyl alpha-D-galacto-hexopyranoside
• WURCS=2.0/1,2,1/[a2112h-1a_1-5]/1-1/a1-b1
• (2R,3R,4S,5R,6R)-2-(Hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.73%	91.11%
CHEMBL3589	P55263	Adenosine kinase	87.48%	98.05%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.32%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.23%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	84.03%	95.93%
CHEMBL218	P21554	Cannabinoid CB1 receptor	82.00%	96.61%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 10925912
• LOTUS: LTS0241339
• wikiData: Q105026544