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Substance Name: Neohyacinthoside
RN: 115491-59-3
InChIKey: SMPUPAPVQOZDSZ-ZREDAJMWSA-N

Note

  • Isolated from bulb or Northoliron hyacinthum (Wils.) Staff.

Molecular Weight

  • 1192.3437
 
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Names and Synonyms

Name of Substance

  • Neohyacinthoside

Synonym

  • Solanidine-3-O-rhamnopyranosyl-(1-2)-(beta-glucopyranosyl-(1-6)-beta-glucopyranosyl-(1-3)-beta-glucopyranosyl-(1-4))-beta-glucopyraneside

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115491-59-3

System Generated Number

  • 0115491593

Structure Descriptors

InChI

1S/C57H93NO25/c1-21-6-9-29-22(2)35-30(58(29)16-21)15-28-26-8-7-24-14-25(10-12-55(24,4)27(26)11-13-56(28,35)5)57(50(44(71)39(66)34(20-62)82-57)81-51-45(72)41(68)36(63)23(3)75-51)83-54-49(80-53-47(74)43(70)38(65)32(18-60)77-53)48(40(67)33(19-61)78-54)79-52-46(73)42(69)37(64)31(17-59)76-52/h7,21-23,25-54,59-74H,6,8-20H2,1-5H3/t21-,22+,23-,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-,52-,53-,54-,55-,56-,57+/m0/s1

InChIKey

SMPUPAPVQOZDSZ-ZREDAJMWSA-N

Smiles

C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC(C6)[C@]7([C@@H]([C@@H]([C@@H]([C@H](O7)CO)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C