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Substance Name: Saponarioside E
RN: 223376-68-9
InChIKey: CXKSOBADZHLYSF-QDZUSAFCSA-N

Molecular Formula

  • C60-H96-O30

Molecular Weight

  • 1297.3884
 
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Names and Synonyms

Results Name

  • Saponarioside E

Synonym

  • Saponarioside E

Systematic Name

  • Olean-12-ene-23,28-dioic acid, 3-(beta-D-glucopyranosyloxy)-, 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)-

Registry Numbers

CAS Registry Number

  • 223376-68-9

System Generated Number

  • 0223376689

Structure Descriptors

InChI

1S/C60H96O30/c1-55(2)13-15-60(16-14-57(4)23(24(60)17-55)7-8-30-56(3)11-10-32(59(6,53(78)79)31(56)9-12-58(30,57)5)87-48-42(74)38(70)33(65)25(18-61)82-48)54(80)90-51-45(77)46(88-49-43(75)39(71)34(66)26(19-62)83-49)37(69)29(86-51)22-81-52-47(41(73)36(68)28(21-64)85-52)89-50-44(76)40(72)35(67)27(20-63)84-50/h7,24-52,61-77H,8-22H2,1-6H3,(H,78,79)/t24-,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-,52+,56+,57+,58+,59-,60-/m0/s1

InChIKey

CXKSOBADZHLYSF-QDZUSAFCSA-N

Smiles

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[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