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    Glucomannan

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    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Glucomannoglycan, 76081-94-2, (glucomannan)n, (glucomannan)n+1, Chebi:17020, C01810
    Molecular Formula
    C24H42O21
    Molecular Weight
    666.6  g/mol
    InChI Key
    LUEWUZLMQUOBSB-FSKGGBMCSA-N
    (2R,3S,4R,6R)-5-{[(2S,3S,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol is a natural product found in Aloe vera, Phoenix dactylifera, and Phoenix theophrasti with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3S,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17-,18?,19-,20-,21-,22+,23+,24+/m1/s1
    2.1.3 InChI Key
    LUEWUZLMQUOBSB-FSKGGBMCSA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3O)O)OC4[C@H](O[C@H]([C@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (1-6)-alpha-d-gluco-d-mannan

    2. (1-6)-alpha-glucomannan

    3. Glucomanna

    4. Konjac Gluco-mannan

    5. Konjac Glucomannan

    6. Konjac Mannan

    2.2.2 Depositor-Supplied Synonyms

    1. Glucomannoglycan

    2. 76081-94-2

    3. (glucomannan)n

    4. (glucomannan)n+1

    5. Chebi:17020

    6. C01810

    2.3 Create Date
    2008-09-10
    3 Chemical and Physical Properties
    Molecular Weight 666.6 g/mol
    Molecular Formula C24H42O21
    XLogP3-9
    Hydrogen Bond Donor Count14
    Hydrogen Bond Acceptor Count21
    Rotatable Bond Count10
    Exact Mass666.22185834 g/mol
    Monoisotopic Mass666.22185834 g/mol
    Topological Polar Surface Area348 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity918
    Isotope Atom Count0
    Defined Atom Stereocenter Count19
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cathartics

    Agents that are used to stimulate evacuation of the bowels. (See all compounds classified as Cathartics.)