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Substance Name: Condurango glycoside A0
RN: 115810-21-4
InChIKey: HZQLSCOFJKYUJZ-KNTRCKAVSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C59-H88-O22

Molecular Weight

  • 1149.3222
 
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Names and Synonyms

Results Name

  • Condurango glycoside A0

Synonym

  • Condurango glycoside A(sub 0)

Systematic Name

  • Pregnan-20-one, 11-(acetyloxy)-3-((O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-12-((1-oxo-3-phenyl-2-propenyl)oxy-, (3-beta,5-alpha,11-alpha,12-beta,14-beta)-

Registry Numbers

CAS Registry Number

  • 115810-21-4

System Generated Number

  • 0115810214

Structure Descriptors

InChI

1S/C59H88O22/c1-28(61)36-21-23-59(68)37-18-17-34-24-35(20-22-57(34,6)44(37)52(75-32(5)62)54(58(36,59)7)78-41(63)19-16-33-14-12-11-13-15-33)76-42-25-38(69-8)49(29(2)72-42)79-43-26-39(70-9)50(30(3)73-43)80-56-48(67)53(71-10)51(31(4)74-56)81-55-47(66)46(65)45(64)40(27-60)77-55/h11-16,19,29-31,34-40,42-56,60,64-68H,17-18,20-27H2,1-10H3/b19-16+

InChIKey

HZQLSCOFJKYUJZ-KNTRCKAVSA-N

Smiles

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(C(C5(C4(CCC5C(=O)C)O)C)OC(=O)/C=C/c6ccccc6)OC(=O)C)C)OC)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 75mg/kg (75mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 1954, 1980.