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Substance Name: Diuranthoside A
RN: 133097-97-9
InChIKey: BJNQXJIQCPPOHN-UZRGCYRISA-N

Molecular Formula

  • C50-H82-O22

Molecular Weight

  • 1035.18
 
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Names and Synonyms

Results Name

  • Diuranthoside A

Synonym

  • Diuranthoside A

Systematic Name

  • beta-D-galactopyranoside, (3beta,5alpha,25S)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 133097-97-9

System Generated Number

  • 0133097979

Structure Descriptors

InChI

1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/t20-,21-,22-,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+/m0/s1

InChIKey

BJNQXJIQCPPOHN-UZRGCYRISA-N

Smiles

O1[C@@H]2[C@H]([C@@H]([C@]31CC[C@@H](CO3)C)C)[C@@]1([C@@H]([C@@H]3CC[C@H]4C[C@@H](CC[C@@]4([C@H]3CC1)C)O[C@H]1[C@@H]([C@@H](O)[C@H]([C@H](O1)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)C2)C