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Introduction
Ardisiacrispin a (deglucocyclamin) is a common triterpenoid saponin from Ardisia species Conclusion: some triterpenoid saponins from A. crenata from the genus Ardisia have cytotoxic effects, immunomodulatory and antiviral activities on tumor cells, and ardisiacrispin a has similar biological characteristics with it
Names and Identifiers
  • 2)-b-D-glucopyranosyl-(1&reg
  • 4)]-a-L-arabinopyranosyl)oxy]-16-hydroxy-, (3b,16a,20b)-
  • ardisiacrispin A
  • Deglucocyclamin
  • Deglucocyclamin I
  • LTS 4
  • Saxifragifolin B
  • (1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20R)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydr
  • 10-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-3-[3,
  • Ardisiacrispin A
  • InChIKey:JXTOWLUQSHIIDP-UHFFFAOYSA-N
  • Inchi:1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3
  • SMILES:O1C([H])([H])C23C([H])([H])C([H])([H])C(C([H])=O)(C([H])([H])[H])C([H])([H])C2([H])C21C([H])([H])C([H])([H])C1([H])C4(C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C(C([H])([H])[H])(C([H])([H])[H])C4([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C2(C([H])([H])[H])C([H])([H])C3([H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])([H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])([H])O1)O[H])O[H])O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 1061.2g/mol
  • Surface Charge: 0
  • XLogP3: -1.1
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 22
  • Rotatable Bond Count: 11
  • Monoisotopic Mass: 1060.545424g/mol
  • Monoisotopic Mass: 1060.545424g/mol
  • Topological Polar Surface Area: 343Ų
  • Heavy Atom Count: 74
  • Complexity: 2020
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 29
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • Solubility: Almost insoluble (0.029 g/l) (25 º C),
  • Color/Form: White powder
  • Density: 1.48±0.1 g/cm3 (20 ºC 760 Torr),
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