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Substance Name: Saponarioside I
RN: 252736-72-4
InChIKey: SXWOFRLEPIYRBS-VOYPCYNFSA-N

Molecular Formula

  • C59-H94-O30

Molecular Weight

  • 1283.3616
 
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Names and Synonyms

Results Name

  • Saponarioside I

Synonyms

  • 3-O-beta-D-xylopyranosyl-16alpha-hydroxygypsogenic acid 28-O-alpha-D-galactopyranosyl-(1-6)-beta-D- glucopyranosyl-(1-3)-beta-D-glucopyranoside
  • Saponarioside I

Systematic Name

  • Olean-12-ene-23,28-dioic acid, 16-hydroxy-3-(beta-D-xylopyranosyloxy)-, 28-(O-alpha-D-galactopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl) ester, (3beta,4alpha,16alpha)-

Registry Numbers

CAS Registry Number

  • 252736-72-4

System Generated Number

  • 0252736724

Structure Descriptors

InChI

1S/C59H94O30/c1-54(2)13-14-59(23(15-54)22-7-8-29-55(3)11-10-32(87-49-41(72)33(64)24(62)19-80-49)58(6,52(77)78)30(55)9-12-56(29,4)57(22,5)16-31(59)63)53(79)89-51-45(76)46(88-50-44(75)39(70)35(66)26(18-61)84-50)37(68)28(86-51)21-82-48-43(74)40(71)36(67)27(85-48)20-81-47-42(73)38(69)34(65)25(17-60)83-47/h7,23-51,60-76H,8-21H2,1-6H3,(H,77,78)/t23-,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-,55+,56+,57+,58-,59+/m0/s1

InChIKey

SXWOFRLEPIYRBS-VOYPCYNFSA-N

Smiles

CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2C1)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]7O