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Substance Name: Alliumoside E
RN: 56625-83-3
InChIKey: ZWNYQZLYFIWZCE-XDQXKVLTSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C69-H114-O37

Molecular Weight

  • 1535.6226
 
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Names and Synonyms

Results Name

  • Alliumoside E

Synonyms

  • Alliumoside E
  • BRN 1361380

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-(O-beta-D-glucopyranosyl-(1-4)-O-6-deoxyl-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-beta-D-glucopyranosyl-(1-2))-

Registry Numbers

CAS Registry Number

  • 56625-83-3

System Generated Number

  • 0056625833

Structure Descriptors

InChI

1S/C69H114O37/c1-23(21-92-61-50(85)44(79)39(74)33(17-70)97-61)9-14-69(91)24(2)38-32(106-69)16-31-29-8-7-27-15-28(10-12-67(27,5)30(29)11-13-68(31,38)6)96-66-59(58(43(78)36(20-73)100-66)104-64-52(87)46(81)41(76)35(19-72)99-64)105-65-53(88)47(82)42(77)37(101-65)22-93-60-54(89)48(83)56(25(3)94-60)102-62-55(90)49(84)57(26(4)95-62)103-63-51(86)45(80)40(75)34(18-71)98-63/h7,23-26,28-66,70-91H,8-22H2,1-6H3/t23-,24-,25+,26+,28-,29?,30?,31?,32?,33+,34+,35+,36+,37+,38?,39+,40+,41+,42+,43+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54-,55-,56+,57+,58-,59+,60+,61+,62-,63-,64-,65-,66+,67-,68-,69+/m0/s1

InChIKey

ZWNYQZLYFIWZCE-XDQXKVLTSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@@]5(C6CC[C@]7(C(C6CC=C5C4)CC8C7[C@@H]([C@](O8)(CC[C@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)C)C)C)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)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.