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Substance Name: Purpurea glycoside A
RN: 19855-40-4
InChIKey: WJOCFXCSQDOQQR-MIKBVDKDSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C47-H74-O18

Molecular Weight

  • 927.084
 
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Names and Synonyms

Results Name

  • Purpurea glycoside A

Synonyms

  • 5-18-03-00355 (Beilstein Handbook Reference)
  • BRN 0078127
  • Deacetyllanatoside A
  • Desacetyl-lanatosid A
  • Desacetyl-lanatosid A [German]
  • Desacetyldigilanide A
  • EINECS 243-374-2
  • Glucodigitoxin
  • Purpurea glycoside A
  • Purpureaglykosid A
  • Purpureaglykosid A [German]

Systematic Names

  • 5-beta-Card-20(22)-enolide, 3-beta-((O-beta-D-glucopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-
  • Deacetyllanatoside A
  • Lanatoside A, deacetyl- (8CI)

Registry Numbers

CAS Registry Number

  • 19855-40-4

System Generated Number

  • 0019855404

Structure Descriptors

InChI

1S/C47H74O18/c1-21-38(51)30(49)16-35(58-21)65-43-23(3)60-36(18-32(43)62-37-17-31(39(52)22(2)59-37)63-44-42(55)41(54)40(53)33(19-48)64-44)61-26-8-11-45(4)25(15-26)6-7-29-28(45)9-12-46(5)27(10-13-47(29,46)56)24-14-34(50)57-20-24/h14,21-23,25-33,35-44,48-49,51-56H,6-13,15-20H2,1-5H3/t21-,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45+,46-,47?/m1/s1

InChIKey

WJOCFXCSQDOQQR-MIKBVDKDSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)[C@H](O)[C@H](O2)C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](O2)C)[C@H](O1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 330ug/kg (0.33mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 193, 1963.
cat LDLo subcutaneous 400ug/kg (0.4mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 186, Pg. 444, 1937.