Please Wait
Applying Filters...
menu
    • menu
    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

    Virtual Booth

    Contact Supplier

    Minakem delivers API, HPAPI, steroids & CDMO services for generics with FDA/GMP certification, regulatory know-how & proven success.

    Virtual Booth

    Contact Supplier

    USP reference standards; highly characterized specimens of drug substances, impurities, excipients, degradation products & more.

    Virtual Booth

    Contact Supplier

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

    Virtual Booth

    Contact Supplier

    Guizhou Utide Biotechnology Co., Ltd. - Specialized GMP manufacturing for next-generation GLP-1 peptide APIs.

    Virtual Booth

    Contact Supplier

    Menu

    Saikosaponin A

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 20736-09-8, 09o6cag7jv, Chebi:8996, (2s,3r,4s,5s,6r)-2-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18r)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, Beta-d-galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-o-beta-d-glucopyranosyl-, Beta-d-galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl-6-deoxy-3-o-beta-d-glucopyranosyl-
    Molecular Formula
    C42H68O13
    Molecular Weight
    781.0  g/mol
    InChI Key
    KYWSCMDFVARMPN-MSSMMRRTSA-N
    FDA UNII
    09O6CAG7JV
    saikosaponin a is a natural product found in Bupleurum kunmingense, Clinopodium gracile, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1
    2.1.3 InChI Key
    KYWSCMDFVARMPN-MSSMMRRTSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)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]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    09O6CAG7JV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Saikosaponin B

    2. Saikosaponin B1

    3. Saikosaponin B2

    4. Saikosaponin B3

    5. Saikosaponin B4

    6. Saikosaponin C

    7. Saikosaponin D

    8. Saikosaponin K

    9. Saikosaponin L

    10. Saikosaponins

    2.3.2 Depositor-Supplied Synonyms

    1. 20736-09-8

    2. 09o6cag7jv

    3. Chebi:8996

    4. (2s,3r,4s,5s,6r)-2-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18r)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

    5. Beta-d-galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-o-beta-d-glucopyranosyl-

    6. Beta-d-galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl-6-deoxy-3-o-beta-d-glucopyranosyl-

    7. Unii-09o6cag7jv

    8. Schembl179964

    9. Chembl3542194

    10. Dtxsid00942951

    11. Hms3886g06

    12. (2s,3r,4s,5s,6r)-2-[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-[hydroxy-(hydroxymethyl)-hexamethyl-[?]yl]oxy-6-methyl-tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

    13. Hy-n0246

    14. Mfcd26960930

    15. S5466

    16. Akos015896720

    17. Saikosaponin A From Bupleurum Falcatnum

    18. Zinc245205019

    19. Ccg-270464

    20. Cs-0008277

    21. N1885

    22. C08975

    23. Q-100257

    24. Q7499688

    25. 16,23-dihydroxy-13,28-epoxyolean-11-en-3-yl 6-deoxy-3-o-hexopyranosylhexopyranoside

    26. .beta.-d-galactopyranoside, (3.beta.,4.alpha.,16.beta.)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-o-.beta.-d-glucopyranosyl-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 781.0 g/mol
    Molecular Formula C42H68O13
    XLogP32.5
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count6
    Exact Mass780.46599222 g/mol
    Monoisotopic Mass780.46599222 g/mol
    Topological Polar Surface Area208 Ų
    Heavy Atom Count55
    Formal Charge0
    Complexity1490
    Isotope Atom Count0
    Defined Atom Stereocenter Count21
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

    Immunosuppressive Agents

    Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)

    Antineoplastic Agents, Phytogenic

    Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)

    Antiviral Agents

    Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

    • Privacy policy
    • Terms and conditions
    • Disclaimers
    • LinkedIn
    • Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.