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    Sennoside C

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 37271-16-2, Uq166p8802, (9r)-4-hydroxy-9-[(9r)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracen-9-yl]-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracene-2-carboxylic acid, Sennosid c, 26403-11-2, Sennoside-c
    Molecular Formula
    C42H40O19
    Molecular Weight
    848.8  g/mol
    InChI Key
    ZFWOUNNKSHIAFK-RDAFFBQNSA-N
    FDA UNII
    UQ166P8802
    sennoside c is a natural product found in Senna alexandrina with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1
    2.1.3 InChI Key
    ZFWOUNNKSHIAFK-RDAFFBQNSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO
    2.1.5 Isomeric SMILES
    C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO
    2.2 Other Identifiers
    2.2.1 UNII
    UQ166P8802
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sennoside D

    2.3.2 Depositor-Supplied Synonyms

    1. 37271-16-2

    2. Uq166p8802

    3. (9r)-4-hydroxy-9-[(9r)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracen-9-yl]-10-oxo-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9h-anthracene-2-carboxylic Acid

    4. Sennosid C

    5. 26403-11-2

    6. Sennoside-c

    7. Unii-uq166p8802

    8. Chebi:80734

    9. Akos025287037

    10. Zinc169722601

    11. N2676

    12. C16797

    13. 271s162

    14. Q-100439

    15. Q27149784

    16. Sennoside C (constituent Of Senna Leaf And Pods) [dsc]

    17. (9,9'-bianthracene)-2-carboxylic Acid, 5,5'-bis(.beta.-d-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (9r,9'r)-rel-

    18. (9,9'-bianthracene)-2-carboxylic Acid, 5,5'-bis(beta-d-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (r*,r*)-

    19. (9r,9'r)-5,5'-bis(beta-d-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-9,9'-bianthracene-2-carboxylic Acid

    2.4 Create Date
    2010-07-01
    3 Chemical and Physical Properties
    Molecular Weight 848.8 g/mol
    Molecular Formula C42H40O19
    XLogP30.8
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count19
    Rotatable Bond Count9
    Exact Mass848.21637904 g/mol
    Monoisotopic Mass848.21637904 g/mol
    Topological Polar Surface Area331 Ų
    Heavy Atom Count61
    Formal Charge0
    Complexity1580
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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