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Substance Name: Alliumoside D
RN: 56190-05-7
InChIKey: NVMFOPGJOKRLTD-OMQHOTSQSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C63-H104-O32

Molecular Weight

  • 1373.4826
 
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Names and Synonyms

Results Name

  • Alliumoside D

Synonym

  • Alliumoside D

Systematic Name

  • beta-D-Glucopyranoside, (3-beta,22-alpha)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-6-beta-D-glucopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-3)-

Registry Numbers

CAS Registry Number

  • 56190-05-7

System Generated Number

  • 0056190057

Structure Descriptors

InChI

1S/C63H104O32/c1-22(21-84-55-47(78)44(75)39(70)32(17-64)87-55)9-14-62(83)23(2)36-31(93-62)16-30-28-8-7-26-15-27(10-12-60(26,5)29(28)11-13-61(30,36)6)63(95-59-51(82)46(77)41(72)34(19-66)89-59)54(92-58-50(81)45(76)40(71)33(18-65)88-58)53(91-57-49(80)43(74)38(69)25(4)86-57)52(35(20-67)94-63)90-56-48(79)42(73)37(68)24(3)85-56/h7,22-25,27-59,64-83H,8-21H2,1-6H3/t22?,23-,24-,25-,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+,52+,53-,54+,55+,56-,57-,58+,59-,60-,61-,62+,63+/m0/s1

InChIKey

NVMFOPGJOKRLTD-OMQHOTSQSA-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[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C)C)O[C@@]1(CCC(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)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.