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Substance Name: Jujuboside D
RN: 194851-84-8
InChIKey: KVKRFLVYJLIZFD-NULGCWPKSA-N

Note

  • Isolated from Ziziphus jujuba.

Molecular Formula

  • C58-H94-O26

Molecular Weight

  • 1207.35
 
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Names and Synonyms

Results Name

  • Jujuboside D

Synonyms

  • Jujuboside A1
  • Jujuboside D

Systematic Name

  • alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-D-galactopyranosyl-(1-2)- O-(O-beta-D-glucopyranosyl-(1-6)-O-(beta-D-xylopyranosyl-(1-2))-beta-D-glucopyranosyl-(1-3))-

Registry Numbers

CAS Registry Number

  • 194851-84-8

System Generated Number

  • 0194851848

Structure Descriptors

InChI

1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/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+,54+,55-,56+,57?,58+/m1/s1

InChIKey

KVKRFLVYJLIZFD-NULGCWPKSA-N

Smiles

O([C@H]1[C@H](O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O)O)O)[C@@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)O)O[C@H]2[C@@H]([C@@H](O)[C@@H](CO2)O)O)[C@H](CO1)O)[C@@H]1C([C@H]2[C@]([C@@H]3[C@@](CC2)([C@@]24[C@H](CC3)[C@H]3[C@@](C[C@@H](O[C@@]3(C2)OC4)\C=C(\C)C)(C)O)C)(C)CC1)(C)C