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Substance Name: Vanicoside B
RN: 155179-21-8
InChIKey: ALSDWGAQQGXOHC-LMXPHSKJSA-N

Note

  • Isolated from Polygonum pensylvanicum.

Molecular Formula

  • C49-H48-O20

Molecular Weight

  • 956.8982
 
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Names and Synonyms

Name of Substance

  • Vanicoside B

Systematic Names

  • alpha-D-Glucopyranoside, 1,3,6-tris-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-((2E)-3-(4-hydroxy-3-methoxypehnyl)-2-propenoate)
  • alpha-D-Glucopyranoside, 1,3,6-tris-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (1(1(E),3(E),6(E)),6(E))-

Registry Numbers

CAS Registry Number

  • 155179-21-8

System Generated Number

  • 0155179218

Structure Descriptors

InChI

1S/C49H48O20/c1-62-36-24-31(8-19-35(36)53)12-22-40(55)63-25-37-43(58)45(60)46(61)48(66-37)69-49(27-65-41(56)21-10-29-4-15-33(51)16-5-29)47(67-42(57)23-11-30-6-17-34(52)18-7-30)44(59)38(68-49)26-64-39(54)20-9-28-2-13-32(50)14-3-28/h2-24,37-38,43-48,50-53,58-61H,25-27H2,1H3/b20-9+,21-10+,22-12+,23-11+/t37-,38-,43-,44-,45+,46-,47+,48-,49-/m1/s1

InChIKey

ALSDWGAQQGXOHC-LMXPHSKJSA-N

Smiles

COc1cc(ccc1O)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@]3([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/c4ccc(cc4)O)O)OC(=O)/C=C/c5ccc(cc5)O)COC(=O)/C=C/c6ccc(cc6)O)O)O)O