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Gentiobiose

  • Formula: C12H22O11

  • Molecular weight: 342.30

  • Smiles: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O

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Gentiobiose

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Gentiobiose

  • First synonym: Beta-gentiobiose

  • Synonyms: beta-Gentiobiose,5996-00-9,6-O-beta-D-glucopyranosyl-D-glucopyranose,UNII-N2VA1H3TIQ,N2VA1H3TIQ,beta-gentiobiose (closed ring),CHEBI:71422,beta-D-Glcp-(1->6)-beta-D-Glcp,(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol,6-O-b-D-Glucopyranosyl-b-D-glucopyranose,(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol,(4S,5S,2R,3R,6R)-6-{[(4S,5S,2R,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3, 4,5,6-tetrahydropyran-2-yloxy)]methyl}-2H-3,4,5,6-tetrahydropyran-2,3,4,5-tetr aol,Gentiobiose, beta-,Gentiobiose beta-form [MI],Glcbeta1-6Glcbeta,Glcb1-6Glcb,6-o-beta-D-Glucopyranosyl-beta-D-glucose,beta-D-Glucose, 6-o-beta-D-glucopyranosyl-,SCHEMBL109658,CHEMBL1360334,ZINC4097481,beta-D-Glc-(1->6)-beta-D-Glc,SBB012564,AKOS016010483,NCGC00142607-01,beta-D-glucosyl-(1->6)-beta-D-glucose,ST069331,6-O-beta-D-glucopyranosyl-beta-D-glucopyranose,C08240,D90708,(6-O-BETA-D-GLUCOPYRANOSYL-BETA-DGLUCOSE),A830673,beta-D-glucopyranose-(1->6)-beta-D-glucopyranose,Q415583,6- O-(beta-D-Glucopyranosyl)-beta-D-Glucopyranose,beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranose,WURCS=2.0/1,2,1/[a2122h-1b_1-5]/1-1/a6-b1,(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]oxane-2,3,4,5-tetrol,(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol

Identifiers / External links

Structure

  • Smiles: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O

  • Isomeric 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)O)O)O)O)O)O)O)O

  • Inchi: InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

  • Inchikey: DLRVVLDZNNYCBX-LIZSDCNHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H22O11

  • Molecular weight: 342.30

  • Monoisotopic mass: 342.11621151

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