Digalactosylglycerol

Details

• Internal ID: 5408ac44-0762-4e12-a7dd-64e989497202
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5R)-2-(hydroxymethyl)-6-[1,2,3-trihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]oxane-3,4,5-triol
• SMILES (Canonical): C(C1C(C(C(C(O1)C(C(C(C2C(C(C(C(O2)CO)O)O)O)O)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)C(C(C(C2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C15H28O13/c16-1-3-5(18)7(20)10(23)14(27-3)12(25)9(22)13(26)15-11(24)8(21)6(19)4(2-17)28-15/h3-26H,1-2H2/t3-,4-,5+,6+,7+,8+,9?,10-,11-,12?,13?,14?,15?/m1/s1
• InChI Key: JHORKUXMXSQYOS-SSGGBFIUSA-N
• Popularity: 42 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₈O₁₃
• Molecular Weight: 416.37 g/mol
• Exact Mass: 416.15299094 g/mol
• Topological Polar Surface Area (TPSA): 241.00 Ų
• XlogP: -5.00

Synonyms

There are no found synonyms.

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	92.24%	91.11%
CHEMBL3589	P55263	Adenosine kinase	90.63%	98.05%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.53%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.29%	86.92%
CHEMBL218	P21554	Cannabinoid CB1 receptor	83.14%	96.61%
CHEMBL226	P30542	Adenosine A1 receptor	82.07%	95.93%
CHEMBL2094135	Q96BI3	Gamma-secretase	80.69%	98.05%

Plants that contains it

• Glycine max

Cross-Links

• PubChem: 129663930
• LOTUS: LTS0153380
• wikiData: Q105128131