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    Galactomannan

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: Galactomannoglycan, Carob galactomannan, 11078-30-1, (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2r,3s,4r,5s,6r)-4,5,6-trihydroxy-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol, C00883, Ac1l975n
    Molecular Formula
    C18H32O16
    Molecular Weight
    504.4  g/mol
    InChI Key
    OMDQUFIYNPYJFM-XKDAHURESA-N
    (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}oxane-3,4,5-triol is a natural product found in Astragalus lehmannianus, Umbilicaria esculenta, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1
    2.1.3 InChI Key
    OMDQUFIYNPYJFM-XKDAHURESA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
    2.1.5 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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Beta-d-mannopyranosyl-(1->4) With Alpha-d-galactopyranosyl Branch Through (1->6) Linkage

    2. D-galacto-d-mannan, Phosphate

    3. Davanat

    4. Galactomannan C

    5. Galactomannan Type I

    6. Galactomannan Type Ii

    7. Galactomannan, Phosphate

    8. Gm-ct-01

    9. Peptidophosphogalactomannan

    10. Phosphogalactomannan

    2.2.2 Depositor-Supplied Synonyms

    1. Galactomannoglycan

    2. Carob Galactomannan

    3. 11078-30-1

    4. (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2r,3s,4r,5s,6r)-4,5,6-trihydroxy-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

    5. C00883

    6. Ac1l975n

    7. D-galacto-d-mannane

    8. Schembl19799345

    9. Chebi:27680

    10. Zinc8216558

    11. W-200825

    12. 6-o-alpha-d-galactopyranosyl-4-o-beta-d-mannopyranosyl-beta-d-mannopyranose

    13. Wurcs=2.0/2,3,2/[a1122h-1b_1-5][a2112h-1a_1-5]/1-1-2/a4-b1_a6-c1

    14. (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2r,3s,4r,5s,6r)-4,5,6-trihydroxy-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 504.4 g/mol
    Molecular Formula C18H32O16
    XLogP3-6.3
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count7
    Exact Mass504.16903493 g/mol
    Monoisotopic Mass504.16903493 g/mol
    Topological Polar Surface Area269 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity641
    Isotope Atom Count0
    Defined Atom Stereocenter Count15
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1