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Substance Name: Vanicoside A
RN: 155179-22-9
InChIKey: RNXDQKHOEWIRNH-FBMBONOOSA-N

Note

  • Isolated from Polygonum pensylvanicum.

Molecular Formula

  • C51-H50-O21

Molecular Weight

  • 998.935
 
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Names and Synonyms

Name of Substance

  • Vanicoside A

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 155179-22-9

System Generated Number

  • 0155179229

Structure Descriptors

InChI

1S/C51H50O21/c1-29(52)68-48-47(63)45(61)39(26-65-42(58)23-13-33-9-20-37(56)38(25-33)64-2)69-50(48)72-51(28-67-43(59)22-11-31-5-16-35(54)17-6-31)49(70-44(60)24-12-32-7-18-36(55)19-8-32)46(62)40(71-51)27-66-41(57)21-10-30-3-14-34(53)15-4-30/h3-25,39-40,45-50,53-56,61-63H,26-28H2,1-2H3/b21-10+,22-11+,23-13+,24-12+/t39-,40-,45-,46-,47+,48-,49+,50-,51-/m1/s1

InChIKey

RNXDQKHOEWIRNH-FBMBONOOSA-N

Smiles

CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@]2([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/c3ccc(cc3)O)O)OC(=O)/C=C/c4ccc(cc4)O)COC(=O)/C=C/c5ccc(cc5)O)COC(=O)/C=C/c6ccc(c(c6)OC)O)O)O