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D-Galactan

PubChem CID: 871

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Compound Synonyms D-Galactan, maltotriose, b-D-Glucan, Globotriose, 9037-55-2, 1109-28-0, 66580-68-5, beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose, Galactan F, Dextrin from corn, Galactan (lupin), 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, MFCD01076415, (Hex)3, GALACTOOLIGOSACCHARIDES, 9051-99-4, beta-Glucan, beta-Glucosylglucan, hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranose, SCHEMBL1097722, SCHEMBL23467170, DTXSID40859579, CHEBI:173277, FYGDTMLNYKFZSV-UHFFFAOYSA-N, DTXSID901046799, (2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol, BCP29958, JAA03755, EINECS 232-913-7, AKOS015915723, OG32134, LS-14681, PD068912, SY286927, DB-040944, NS00013554, NS00101182, NS00125182, C00420, 232-913-7, beta-D-Glucopyranosyl-(1->4)-(4xi)-beta-D-xylo-hexopyranosyl-(1->4)-(4xi)-alpha-D-xylo-hexopyranose
Topological Polar Surface Area 269.0
Hydrogen Bond Donor Count 11.0
Heavy Atom Count 34.0
Description Polysaccharides are polymeric carbohydrate structures, formed of repeating units (either mono- or di-saccharides) joined together by glycosidic bonds. These structures are often linear, but may contain various degrees of branching. Polysaccharides are often quite heterogeneous, containing slight modifications of the repeating unit. Examples include storage polysaccharides such as starch and glycogen, and structural polysaccharides such as cellulose and chitin. Polysaccharides is found in many foods, some of which are caraway, flaxseed, sweet basil, and barley.
Isotope Atom Count 0.0
Molecular Complexity 641.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 0.0
Class Carbohydrates and carbohydrate conjugates
Xlogp -6.9
Superclass Organooxygen compounds
Subclass Oligosaccharides
Molecular Formula C18H32O16
Prediction Swissadme 0.0
Inchi Key FYGDTMLNYKFZSV-UHFFFAOYSA-N
Fcsp3 1.0
Logs 0.411
Rotatable Bond Count 7.0
Logd -2.963
Synonyms Glycan, Polyglycose, b-D-Mannopyranosyl-(1->4)-b-D-mannopyranosyl-(1->4)-D-mannose, 9CI, 8CI, Gal-1-4-gal-1-4-glc, Galp-1-4-galp-glcp, Globotriaose, Globotriose, P(k) trisaccharide
Substituent Name Oligosaccharide, O-glycosyl compound, Glycosyl compound, Oxane, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound
Compound Name D-Galactan
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 504.169
Formal Charge 0.0
Monoisotopic Mass 504.169
Hydrogen Bond Acceptor Count 16.0
Molecular Weight 504.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 15.0
Total Bond Stereocenter Count 0.0
Esol 1.8288843999999986
Inchi InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2
Smiles C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Dracocephalum Moldavicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all
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