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Substance Name: Macrostemonoside A
RN: 143049-26-7
InChIKey: JWWCJQFYNBGCAX-UOUUDHCBSA-N

Note

  • From Allium macrostemon Bung.

Molecular Weight

  • 1065.2
 
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Names and Synonyms

Name of Substance

  • Macrostemonoside A

Synonym

  • Tigogenin-3-O-beta-D-glucopyranosyl(1-2)(beta-D-glucopyranosyl(1-3))-beta-D-glucopyranosyl(1-4)-beta-D-galactopyranoside

Systematic Name

  • beta-D-Galactopyranoside, (3-beta,5alpha,25R)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 143049-26-7

System Generated Number

  • 0143049267

Structure Descriptors

InChI

1S/C51H84O23/c1-20-7-12-50(66-19-20)21(2)32-27(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)51(74-47-42(65)39(62)35(58)30(17-54)69-47)44(71-46-41(64)38(61)34(57)29(16-53)68-46)43(36(59)31(18-55)73-51)70-45-40(63)37(60)33(56)28(15-52)67-45/h20-47,52-65H,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?,51+/m1/s1

InChIKey

JWWCJQFYNBGCAX-UOUUDHCBSA-N

Smiles

O([C@]1([C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@@H](O1)CO)[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]5[C@H](C[C@@H]4[C@@H]3CC[C@@H]2C1)O[C@@]1([C@H]5C)OC[C@@H](CC1)C)C)C)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO