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Substance Name: Asparanin D
RN: 83931-89-9
InChIKey: FFAHEGKVGQPZOA-UHFFFAOYSA-N

Molecular Formula

  • C50-H82-O21

Molecular Weight

  • 1019.18
 
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Names and Synonyms

Results Name

  • Asparanin D

Synonym

  • Asparanin D

Systematic Name

  • beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-alpha-L-arabinopyranosyl-(1->4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->6))-O-(beta-D-glucopyranosyl-(1->2))-

Registry Numbers

CAS Registry Number

  • 83931-89-9

System Generated Number

  • 0083931899

Structure Descriptors

InChI

1S/C50H82O21/c1-20-8-13-50(64-17-20)21(2)32-29(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-46-40(60)37(57)35(55)30(16-51)67-46)41(61)42(69-45-38(58)34(54)28(52)18-62-45)31(68-47)19-63-44-39(59)36(56)33(53)22(3)65-44/h20-47,51-61H,6-19H2,1-5H3

InChIKey

FFAHEGKVGQPZOA-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H](O[C@@H]([C@@H](O[C@@H]3[C@@H](O)[C@@H]([C@@H](CO3)O)O)[C@@H]2O)CO[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@@H]2CC[C@@]3([C@@H]4CC[C@@]5([C@@H](C[C@@H]6[C@@H]5[C@@H]([C@@]5(CC[C@@H](C)CO5)O6)C)[C@@H]4CC[C@@H]3C2)C)C)[C@@H]([C@@H]([C@@H](O)[C@@H]1CO)O)O