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    Ginsenoside Rb1

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: Gynosaponin c, 41753-43-9, Gypenoside iii, Sanchinoside e1, Arasaponin e1, Panax saponin e
    Molecular Formula
    C54H92O23
    Molecular Weight
    1109.3  g/mol
    InChI Key
    GZYPWOGIYAIIPV-JBDTYSNRSA-N
    FDA UNII
    7413S0WMH6
    (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol is a natural product found in Panax vietnamensis, Gynostemma pentaphyllum, 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,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
    2.1.3 InChI Key
    GZYPWOGIYAIIPV-JBDTYSNRSA-N
    2.1.4 Canonical SMILES
    CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C
    2.1.5 Isomeric SMILES
    CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C
    2.2 Other Identifiers
    2.2.1 UNII
    7413S0WMH6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-glcglc-20-glcglc-ginsenoside

    2. Arasaponin E1

    3. Ginsenoside-rb1

    4. Gynosaponin C

    5. Gypenoside Iii

    6. Notoginsenoside Rb1

    7. Panax Saponin E

    8. Panaxoside Rb1

    9. Pseudoginsenoside D

    10. Sanchinoside E1

    11. Sanchinoside Rb1

    2.3.2 Depositor-Supplied Synonyms

    1. Gynosaponin C

    2. 41753-43-9

    3. Gypenoside Iii

    4. Sanchinoside E1

    5. Arasaponin E1

    6. Panax Saponin E

    7. Pseudoginsenoside D

    8. Ginsenoside-rb1

    9. Panaxsaponin E

    10. (20s)-ginsenoside Rb1

    11. Chembl501515

    12. Grb 1

    13. Chebi:67989

    14. Sanchinoside Rb1

    15. 7413s0wmh6

    16. Notoginsenoside Rb1

    17. 2-o-beta-glucopyranosyl-(3beta,12beta)-20-[(6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl Beta-d-glucopyranoside

    18. Ginsenosiderb1

    19. Einecs 255-532-8

    20. Mfcd00133367

    21. Panaxoside Rb1

    22. 2-o-beta-glucopyranosyl-(3beta,12beta)-20-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl-beta-d-glucopyranoside

    23. Unii-7413s0wmh6

    24. Gypenoside Cento

    25. Nsc-310103

    26. Nsc 310103

    27. Gsrb1

    28. Gs-rb1

    29. 20(s)-ginsenoside Rb1

    30. Ginsenoside Rb1 - 94%

    31. Bidd:er0108

    32. Ginsenoside Rb1 [usp-rs]

    33. Ginsenoside Rb1 [who-dd]

    34. Dtxsid401316929

    35. Hms3885o12

    36. Ex-a6786

    37. Hy-n0039

    38. Bdbm50317541

    39. S3924

    40. Akos025311537

    41. Ccg-270640

    42. Cs-3829

    43. Db06749

    44. Ncgc00347398-04

    45. Bs-32417

    46. Xg164977

    47. N1620

    48. C20713

    49. 753g439

    50. Q-100470

    51. Ginsenoside Rb1, Primary Pharmaceutical Reference Standard

    52. Ginsenoside Rb1, European Pharmacopoeia (ep) Reference Standard

    53. Ginsenoside-rb1 From Panax Ginseng (korean Ginseng) Root, Triterpenoid Saponin

    54. (3beta,12beta)-20-[(6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-o-beta-d-glucopyranosyl-beta-d-glucopyranoside

    55. (3beta,12beta)-20-{[6-o-(beta-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-o-beta-d-glucopyranosyl-beta-d-glucopyranoside

    56. .beta.-d-glucopyranoside, (3.beta.,12.beta.)-20-((6-o-.beta.-d-glucopyranosyl-.beta.-d-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-o-.beta.-d-glucopyranosyl-

    57. 3beta-[beta-d-glucopyranosyl-(1->2)-beta-d Glucopyranosyloxy]-20-[beta-d-glucopyranosyl-(1->2)-beta-d Glucopyranosyloxy]dammar-24-en-12beta-ol

    58. Beta-d-glucopyranoside, (3-beta,12-beta)-20-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-o-beta-d-glucopyranosyl-

    59. Ginsenoside Rb1 (constituent Of American Ginseng, Asian Ginseng, And Tienchi Ginseng) [dsc]

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 1109.3 g/mol
    Molecular Formula C54H92O23
    XLogP30.3
    Hydrogen Bond Donor Count15
    Hydrogen Bond Acceptor Count23
    Rotatable Bond Count16
    Exact Mass1108.60293918 g/mol
    Monoisotopic Mass1108.60293918 g/mol
    Topological Polar Surface Area377 Ų
    Heavy Atom Count77
    Formal Charge0
    Complexity2000
    Isotope Atom Count0
    Defined Atom Stereocenter Count30
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1