Ara(b1-3)Gal
PubChem CID: 656512
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| Compound Synonyms | Arabino-galactose, C07285, AC1LCV47, arabinogalactose, Ara(b1-3)Gal, CHEBI:2795, G26224XR, Q27105818, (3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol |
|---|---|
| Topological Polar Surface Area | 169.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 21.0 |
| Description | Arabinogalactose is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Arabinogalactose is soluble (in water) and a very weakly acidic compound (based on its pKa). Arabinogalactose can be found in arabica coffee, which makes arabinogalactose a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | -4.1 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C11H20O10 |
| Inchi Key | CKIPPJHUIHDREQ-TUJAQXOJSA-N |
| Rotatable Bond Count | 3.0 |
| Compound Name | Ara(b1-3)Gal |
| Kingdom | Organic compounds |
| Exact Mass | 312.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 312.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 312.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C11H20O10/c12-1-4-6(15)9(8(17)10(18)20-4)21-11-7(16)5(14)3(13)2-19-11/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9-,10?,11+/m0/s1 |
| Smiles | C1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@H](OC([C@@H]2O)O)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all