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Substance Name: Lanatoside A
RN: 17575-20-1
UNII: H4BU39831E
InChIKey: YFGQJKBUXPKSAW-YSTAXILLSA-N

Molecular Formula

  • C49-H76-O19

Molecular Weight

  • 969.1204
 
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Names and Synonyms

Name of Substance

  • Lanatoside A

Synonyms

  • 3-((O-beta-D-Glucopyranosyl-(1-4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide (3beta,5beta)-
  • 5-18-03-00355 (Beilstein Handbook Reference)
  • Adigal
  • BRN 0078336
  • Digilanid A
  • Digilanide A
  • Digitoxigenin + 2 digitoxose + acetyl-digilanidobose
  • Digitoxigenin + 2 digitoxose + acetyl-digilanidobose [German]
  • EINECS 241-544-0
  • Lanatosid A
  • Lanatosid A [German]
  • Lanatoside A
  • NSC 7532
  • UNII-H4BU39831E

Systematic Names

  • Card-20(22)-enolide, 3-((O-beta-D-glucopyranosyl-(1-4)-O-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)- (9CI)
  • Lanatoside A

Registry Numbers

CAS Registry Number

  • 17575-20-1

FDA UNII

  • H4BU39831E

System Generated Number

  • 0017575201

Structure Descriptors

InChI

1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24-,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1

InChIKey

YFGQJKBUXPKSAW-YSTAXILLSA-N

Smiles

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 220ug/kg (0.22mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 184, Pg. 181, 1937.
guinea pig LD50 oral 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 481, 1965.
guinea pig LDLo intravenous 1040ug/kg (1.04mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 311, 1962.
mouse LD50 intracrebral 32ug/kg (0.032mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 908, 1961.
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 165, 1965.
mouse LD50 intravenous 21300ug/kg (21.3mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 908, 1961.
mouse LD50 oral 9340ug/kg (9.34mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 58, 1958.
rat LD50 intravenous 16mg/kg (16mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 165, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.23 (none)   EXP
Atmospheric OH Rate Constant 3.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.