This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

beta-D-GlcpA-(1->6)-beta-D-Galp

PubChem CID: 70680285

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms GlcAbeta1-6Galbeta, beta-D-GlcpA-(1->6)-beta-D-Galp, GlcAb1-6Galb, beta-D-GlcA-(1->6)-beta-D-Gal, CHEBI:71268, beta-D-glucouronosyl-(1->6)-beta-D-galactose, 6-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose, beta-D-glucopyranuronosyl-(1->6)-beta-D-galactopyranose, Aldobionic acid, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl)methoxy)oxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid, Q27139480
Topological Polar Surface Area 207.0
Hydrogen Bond Donor Count 8.0
Heavy Atom Count 24.0
Description Aldobionic acid, also known as beta-D-glca-(1->6)-beta-D-gal or glcab1-6galb, is a member of the class of compounds known as O-glucuronides. O-glucuronides are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. Aldobionic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Aldobionic acid can be found in quince, which makes aldobionic acid a potential biomarker for the consumption of this food product.
Isotope Atom Count 0.0
Molecular Complexity 446.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 10.0
Iupac Name (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
Prediction Hob 0.0
Class Organooxygen compounds
Xlogp -4.5
Superclass Organic oxygen compounds
Subclass Carbohydrates and carbohydrate conjugates
Molecular Formula C12H20O12
Prediction Swissadme 0.0
Inchi Key YOOPHLDCWPOWDX-QCICJENWSA-N
Fcsp3 0.9166666666666666
Logs -0.111
Rotatable Bond Count 4.0
Logd -2.727
Synonyms 6-O-beta-D-Glucopyranuronosyl-beta-D-galactopyranose, beta-D-GlcA-(1->6)-beta-D-gal, beta-D-Glucouronosyl-(1->6)-beta-D-galactose, GlcAb1-6galb, GlcAbeta1-6galbeta, 6-O-b-D-Glucopyranuronosyl-b-D-galactopyranose, 6-O-Β-D-glucopyranuronosyl-β-D-galactopyranose, b-D-GlcA-(1->6)-b-D-gal, Β-D-glca-(1->6)-β-D-gal, b-D-Glucouronosyl-(1->6)-b-D-galactose, Β-D-glucouronosyl-(1->6)-β-D-galactose, b-D-GlcpA-(1->6)-b-D-galp, Β-D-glcpa-(1->6)-β-D-galp, Aldobionate
Compound Name beta-D-GlcpA-(1->6)-beta-D-Galp
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 356.095
Formal Charge 0.0
Monoisotopic Mass 356.095
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 356.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Esol 1.0437639999999997
Inchi InChI=1S/C12H20O12/c13-3-2(23-11(21)7(17)4(3)14)1-22-12-8(18)5(15)6(16)9(24-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)/t2-,3+,4+,5+,6+,7-,8-,9+,11-,12-/m1/s1
Smiles C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent O-glucuronides

Back to Browse   Back to Home