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Substance Name: Alliumoside B
RN: 56126-14-8
InChIKey: ALPKPXXOFFUSLY-ZVKAMZIBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H84-O24

Molecular Weight

  • 1081.2006
 
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Names and Synonyms

Results Name

  • Alliumoside B

Synonym

  • Alliumoside B

Systematic Name

  • beta-D-Glucopyranoside, (3-beta,22-alpha)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-6)-

Registry Numbers

CAS Registry Number

  • 56126-14-8

System Generated Number

  • 0056126148

Structure Descriptors

InChI

1S/C51H84O24/c1-20(19-68-45-41(64)37(60)33(56)28(15-52)69-45)7-12-50(67)21(2)32-27(73-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)51(75-47-43(66)39(62)35(58)30(17-54)71-47)44(40(63)36(59)31(18-55)74-51)72-46-42(65)38(61)34(57)29(16-53)70-46/h5,20-21,23-47,52-67H,6-19H2,1-4H3/t20?,21-,23?,24?,25?,26?,27-,28+,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51-/m0/s1

InChIKey

ALPKPXXOFFUSLY-ZVKAMZIBSA-N

Smiles

C[C@H]1[C@H]2[C@H](CC3[C@@]2(CCC4C3CC=C5[C@@]4(CCC(C5)[C@@]6([C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)O[C@@]1(CCC(C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 30mg/kg (30mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.