Glc(b1-6)Glc(a1-1a)Glc

Details

• Internal ID: b9077b7c-d9ce-472e-bb54-55e978bcc844
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• SMILES (Canonical): C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)CO)O)O)O)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[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)16(31-4)30-3-6-9(23)12(26)15(29)18(33-6)34-17-14(28)11(25)8(22)5(2-20)32-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17-,18-/m1/s1
• InChI Key: JPQYDVAIBALJDC-CFCQXFMMSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₂O₁₆
• Molecular Weight: 504.40 g/mol
• Exact Mass: 504.16903493 g/mol
• Topological Polar Surface Area (TPSA): 269.00 Ų
• XlogP: -6.30

Synonyms

• (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)methoxy)oxane-3,4,5-triol
• (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• RefChem:937993
• GlyTouCan:G68103UN
• G68103UN
• Glc(b1-6)Glc(a1-1a)Glc
• CHEBI:153055
• alpha-D-gluco-hexopyranosyl beta-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranoside
• WURCS=2.0/2,3,2/[a2122h-1a_1-5][a2122h-1b_1-5]/1-1-2/a1-b1_b6-c1

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	92.44%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	89.96%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.94%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.93%	86.92%
CHEMBL218	P21554	Cannabinoid CB1 receptor	85.86%	96.61%
CHEMBL3589	P55263	Adenosine kinase	82.84%	98.05%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.03%	97.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14605945
• LOTUS: LTS0026371
• wikiData: Q105133090