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.

Verbascose

PubChem CID: 441434

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

ℹ️ Click here to know more about the properties
Compound Synonyms Verbascose, 546-62-3, D-Verbascose, VERBASCOSE [MI], EINECS 208-905-4, UNII-75493766S3, (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, CHEBI:28586, 75493766S3, beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside, (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, alpha-D-Galp-(1->6)-alpha-D-Galp-(1-6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf, alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-, beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside, GLUCOPYRANOSIDE, .BETA.-D-FRUCTOFURANOSYL O-.ALPHA.-D-GALACTOPYRANOSYL-(1-6)-O-.ALPHA.-D-GALACTOPYRANOSYL-(1-6)-O-.ALPHA.-D-GALACTOPYRANOSYL-(1-6)-, .ALPHA.-D-, AC1L9B5S, (2S,3R,4S,5R,6R)-2-(((2R,3R,4S,5R,6S)-6-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5R,6R)-2-(((2R,3R,4S,5R,6S)-6-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, Glucopyranoside, ss-D-fructofuranosyl O-a-D-galactopyranosyl-(1?6)-O-a-D-galactopyranosyl-(1?6)-O-a-D-galactopyranosyl-(1?6)-, a-D- (8CI), ss-D-Fructofuranosyl O-a-D-galactopyranosyl-(1?6)-O-a-D-galactopyranosyl-(1?6)-O-a-D-galactopyranosyl-(1?6)-a-D-glucopyranoside, D-Verbascose, SureCN38437, SCHEMBL38437, Verbascose, analytical standard, 56217_FLUKA, DTXSID10969856, FLUADVWHMHPUCG-SWPIJASHSA-N, HY-N9369, OV13781, DA-78866, CS-0159547, NS00042851, C08252, G79550, Q12912931, b-D-Galp-(1->6)-b-D-galp-(1->6)-b-D-galp-(1->6)-a-D-GLCP-(12)-b-D-fruf, ?-D-Fructofuranosyl O-?-D-galactopyranosyl-(1-6)-O-?-D-galactopyranosyl-(1-6)-O-?-D-galactopyranosyl-(1-6)-?-D-glucopyranoside, 208-905-4, b-D-Fructofuranosyl O-a-D-galactopyranosyl-(1-6)-O-a-D-galactopyranosyl-(1-6)-O-a-D-galactopyranosyl-(1-6)-a-D-glucopyranoside, beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf, beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(12)-beta-D-Fruf, GLUCOPYRANOSIDE, BETA-D-FRUCTOFURANOSYL O-ALPHA-D-GALACTOPYRANOSYL-(1-6)-O-ALPHA-D-GALACTOPYRANOSYL-(1-6)-O-ALPHA-D-GALACTOPYRANOSYL-(1-6)-, ALPHA-D-, Hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranosyl-(1->6)hexopyranosyl-(1->6)hexopyranoside
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 427.0
Hydrogen Bond Donor Count 17.0
Pfizer 3 75 Rule True
Scaffold Graph Level C1CCC(CCC2CCCC(CCC3CCCC(CCC4CCCC(CC5CCCC5)C4)C3)C2)CC1
Np Classifier Class Polysaccharides
Deep Smiles OC[C@H]O[C@@][C@H][C@@H]5O))O))CO))O[C@H]O[C@H]CO[C@H]O[C@H]CO[C@H]O[C@H]CO[C@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O)))))))[C@@H][C@@H][C@H]6O))O))O)))))))[C@@H][C@@H][C@H]6O))O))O)))))))[C@H][C@@H][C@H]6O))O))O
Heavy Atom Count 56.0
Classyfire Class Organooxygen compounds
Description Verbascose is a member of the class of compounds known as oligosaccharides. Oligosaccharides are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Verbascose is soluble (in water) and a very weakly acidic compound (based on its pKa). Verbascose can be synthesized from stachyose. Verbascose can also be synthesized into ajugose. Verbascose can be found in a number of food items such as sesbania flower, silver linden, wild carrot, and burbot, which makes verbascose a potential biomarker for the consumption of these food products.
Scaffold Graph Node Level C1CCC(OCC2CCCC(OCC3CCCC(OCC4CCCC(OC5CCCO5)O4)O3)O2)OC1
Classyfire Subclass Carbohydrates and carbohydrate conjugates
Isotope Atom Count 0.0
Molecular Complexity 1220.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 24.0
Iupac Name (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Organic oxygen compounds
Xlogp -10.1
Gsk 4 400 Rule False
Molecular Formula C30H52O26
Scaffold Graph Node Bond Level C1CCC(OCC2CCCC(OCC3CCCC(OCC4CCCC(OC5CCCO5)O4)O3)O2)OC1
Prediction Swissadme 0.0
Inchi Key FLUADVWHMHPUCG-SWPIJASHSA-N
Fcsp3 1.0
Logs -0.794
Rotatable Bond Count 14.0
Logd -4.135
Synonyms D-verbascose, Verbascose, verbascose
Functional Groups CO, CO[C@H](C)OC, C[C@](C)(OC)O[C@H](C)OC
Compound Name Verbascose
Prediction Hob Swissadme 0.0
Exact Mass 828.275
Formal Charge 0.0
Monoisotopic Mass 828.275
Hydrogen Bond Acceptor Count 26.0
Molecular Weight 828.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 24.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol 2.3341359999999924
Inchi InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1
Smiles 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)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O
Nring 5.0
Np Classifier Biosynthetic Pathway Carbohydrates
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Saccharides

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Concinna (Plant) Rel Props:Reference:ISBN:9788185042084
  • 2. Outgoing r'ship FOUND_IN to/from Aconitum Pseudohuiliense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Aconitum Sachalinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Alstonia Deplanchei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Asteriscus Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Baccharis Megapotamica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Cacalia Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Centrosema Pascuorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Ceratozamia Fuscoviridis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Citrus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Codium Decorticatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Corchorus Aestuans (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084
  • 13. Outgoing r'ship FOUND_IN to/from Corchorus Capsularis (Plant) Rel Props:Reference:ISBN:9788185042145
  • 14. Outgoing r'ship FOUND_IN to/from Critonia Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Erigeron Crispus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Eupatorium Gracile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Flemingia Congesta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Haplophyllum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Lantana Camara (Plant) Rel Props:Reference:ISBN:9788172361150
  • 22. Outgoing r'ship FOUND_IN to/from Lens Culinaris (Plant) Rel Props:Reference:ISBN:9788172362461
  • 23. Outgoing r'ship FOUND_IN to/from Marrubium Supinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Metalasia Bolusii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Orthosphenia Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Oxyanthus Speciosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Quercus Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Relhania Pumila (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Solanum Elaeagnifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Stevia Mercedensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Strychnos Tabascana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Styrax Perkinsiae (Plant) Rel Props:Source_db:npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Swinglea Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Theobroma Cacao (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Thuja Standishii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Verbesina Rupestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Vigna Mungo (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Vigna Radiata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all
Back to Browse   Back to Home