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Substance Name: Glucoscillipheoside
RN: 21305-13-5
InChIKey: CTADXGOGYIRGET-MNWIEPDOSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C36-H52-O14

Molecular Weight

  • 706.8206
 
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Names and Synonyms

Results Name

  • Glucoscillipheoside

Synonyms

  • 4-18-00-02590 (Beilstein Handbook Reference)
  • BRN 0076519
  • Glucoscilliphaosid
  • Glucoscilliphaosid [German]
  • Glucoscillipheoside

Systematic Name

  • Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxy-

Registry Numbers

CAS Registry Number

  • 21305-13-5

System Generated Number

  • 0021305135

Structure Descriptors

InChI

1S/C37H54O13/c1-5-24-27(40)28(41)30(43)34(49-24)50-32-17(2)47-33(31(44)29(32)42)48-20-10-12-35(3)19(14-20)7-8-22-23(35)15-25(38)36(4)21(11-13-37(22,36)45)18-6-9-26(39)46-16-18/h6,9,14,16-17,20-25,27-34,38,40-45H,5,7-8,10-13,15H2,1-4H3/t17-,20-,21+,22+,23-,24+,25+,27+,28-,29-,30+,31+,32-,33-,34-,35-,36-,37-/m0/s1

InChIKey

CTADXGOGYIRGET-MNWIEPDOSA-N

Smiles

CC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@H](CC[C@]6(O)[C@@H]5CCC4=C3)C7=COC(=O)C=C7)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 110ug/kg (0.11mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 191, 1963.