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Substance Name: Saponarioside F
RN: 223376-71-4
InChIKey: XDWOQQRQBKKTJK-BQWGZUSZSA-N

Molecular Formula

  • C59-H94-O30

Molecular Weight

  • 1283.3616
 
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Names and Synonyms

Results Name

  • Saponarioside F

Synonym

  • Saponarioside F

Systematic Name

  • Olean-12-ene-23,28-dioic acid, 16-hydroxy-3-(beta-D-xylopyranosyloxy)-, 28-(O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-6))-beta-D-glucopyranosyl) ester, (3beta,4alpha,16alpha)-

Registry Numbers

CAS Registry Number

  • 223376-71-4

System Generated Number

  • 0223376714

Structure Descriptors

InChI

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

XDWOQQRQBKKTJK-BQWGZUSZSA-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](O)[C@H](O)[C@H]8O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]7O