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Substance Name: Soyasaponin A1
RN: 78693-94-4
InChIKey: XFXHYKZIZSNVSQ-UHFFFAOYSA-N

Molecular Formula

  • C59-H96-O29

Molecular Weight

  • 1269.38
 
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Names and Synonyms

Results Name

  • Soyasaponin A1

Synonym

  • Soyasaponin A1

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,21beta,22beta)-22-((3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-21,23-dihydroxyolean-12-en-3-yl O-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-

Registry Numbers

CAS Registry Number

  • 78693-94-4

System Generated Number

  • 0078693944

Structure Descriptors

InChI

1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)

InChIKey

XFXHYKZIZSNVSQ-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1CO)O)O)O)O[C@@H]1[C@@H](CO[C@@H]([C@@H]1O)O[C@@H]1[C@@]2(CC[C@@]3([C@@]4(CC[C@@H]5[C@@]([C@@H]4CC=C3[C@@H]2CC([C@@H]1O)(C)C)(CC[C@@H](O[C@@H]1[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](CO)O2)O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)O)O)CO)[C@@H]([C@@H]([C@@H](O1)C(O)=O)O)O)[C@@]5(C)CO)C)C)C)C)O