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    Technical details about MolPort-001-740-346, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-740-346

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 480-10-4, Astragaline, Kaempferol 3-o-glucoside, Kaempferol-3-glucoside, Kaempferol 3-glucoside, Kaempferol-3-o-glucoside
    Molecular Formula
    C21H20O11
    Molecular Weight
    448.4  g/mol
    InChI Key
    JPUKWEQWGBDDQB-QSOFNFLRSA-N
    FDA UNII
    APM8UQ3Z9O
    astragalin is a natural product found in Salix atrocinerea, Xylopia aromatica, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    2.1.2 InChI
    InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
    2.1.3 InChI Key
    JPUKWEQWGBDDQB-QSOFNFLRSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    APM8UQ3Z9O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Kaempferol 3-o-beta-d-glucopyranoside

    2.3.2 Depositor-Supplied Synonyms

    1. 480-10-4

    2. Astragaline

    3. Kaempferol 3-o-glucoside

    4. Kaempferol-3-glucoside

    5. Kaempferol 3-glucoside

    6. Kaempferol-3-o-glucoside

    7. 3-glucosylkaempferol

    8. Asragalin

    9. Kaempferol-3-beta-monoglucoside

    10. Kaempferol-3-beta-glucopyranoside

    11. 3,4',5,7-tetrahydroxyflavone-3-glucoside

    12. Kaempferol 3-o-beta-d-glucopyranoside

    13. 4h-1-benzopyran-4-one, 3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-

    14. Apm8uq3z9o

    15. Kaempferol 3-o-beta-d-glucoside

    16. Chembl233930

    17. Chebi:30200

    18. Mfcd00075932

    19. 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one

    20. Kaempferol 3-o-.beta.-d-glucopyranoside

    21. Kaempferol-3-d-glucoside

    22. 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

    23. 3-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one

    24. 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl Beta-d-glucopyranoside

    25. 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

    26. Unii-apm8uq3z9o

    27. Kaempferol 3-beta-d-glucopyranoside, >=97.0% (hplc)

    28. Astraglin

    29. Kaempferol 3-beta-d-glucopyranoside

    30. Kaempferol 3-d-glucoside

    31. 3-o-b-d-glucopyranoside

    32. Schembl23897

    33. K5

    34. Mls002473092

    35. Megxp0_000168

    36. Acon1_001224

    37. Cid_5282102

    38. Kaempferol 3-b-d-glucopyranoside

    39. Bdbm226182

    40. Dtxsid801017739

    41. Hms2227a14

    42. Hy-n0015

    43. Kaempferol-3-o-beta-glucopyranoside

    44. Zinc4102435

    45. Bdbm50241243

    46. S9289

    47. Zb1884

    48. Kaempferol 3-o-glucopyranoside

    49. Akos015896779

    50. Ccg-269212

    51. Cs-3720

    52. Kaempferol 3-o-beta-d-glucoside (6)

    53. Kaempferol 3-.beta.-d-glucoside

    54. Kaempferol 3-o-.beta.-glucoside

    55. Kaempferol-3-o-.beta.-d-glucopyranoside

    56. Ncgc00163580-01

    57. Ncgc00163580-02

    58. Ac-35088

    59. Smr001397194

    60. Kaempferol 3-o-.beta.-d-glucoside

    61. Kaempferol 3-glucoside, Analytical Standard

    62. 3,4'',5,7-tetrahydroxyflavone-3-glucoside

    63. N1897

    64. 3-((2s,3r,4s,5s,6r)-

    65. Kaempferol 3-.beta.-d-glucopyranoside

    66. 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-

    67. 480a104

    68. A827420

    69. Sr-05000002271

    70. Q-100517

    71. Q4811191

    72. Sr-05000002271-2

    73. 3-o-b-d-glucopyranosyloxy-4',5,7-trihydroxyflavone

    74. Brd-k44487476-001-01-5

    75. (2s,3s)-dihyrokaempferol 3-o-.beta.-d-glucoside

    76. 4',5,7-trihydroxyflavone 3-.beta.-d-glucopyranoside

    77. Kaempferol 3-o-glucoside (constituent Of Ginkgo) [dsc]

    78. Kaempferol 3-glucoside, Primary Pharmaceutical Reference Standard

    79. 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl .beta.-d-glucopyranoside

    80. 4h-1-benzopyran-4-one, 3-(.beta.-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-

    81. 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 448.4 g/mol
    Molecular Formula C21H20O11
    XLogP30.7
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass448.10056145 g/mol
    Monoisotopic Mass448.10056145 g/mol
    Topological Polar Surface Area186 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity719
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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