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Substance Name: Hexandraside B
RN: 128988-54-5
InChIKey: SCGIMZSPRPPEMA-AYTNJEMSSA-N

Note

  • Flavonol glycoside from Vancouveria hexandra.

Molecular Formula

  • C41-H52-O21

Molecular Weight

  • 880.8408
 
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Names and Synonyms

Name of Substance

  • Hexandraside B

Synonyms

  • 3-((3-O-(6-O-Acetyl-beta-D-galactopyranosyl)-6-deoxy-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
  • Anhydroicaritin 3-(6-O-acetylgalactosyl(1-3)rhamnoside)-7-glucoside

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-((3-O-(6-O-acetyl-beta-D-galactopyranosyl)-6-deoxy-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 128988-54-5

System Generated Number

  • 0128988545

Structure Descriptors

InChI

1S/C41H52O21/c1-15(2)6-11-20-22(57-39-32(51)30(49)27(46)23(13-42)58-39)12-21(44)25-29(48)38(35(60-36(20)25)18-7-9-19(54-5)10-8-18)62-41-34(53)37(26(45)16(3)56-41)61-40-33(52)31(50)28(47)24(59-40)14-55-17(4)43/h6-10,12,16,23-24,26-28,30-34,37,39-42,44-47,49-53H,11,13-14H2,1-5H3/t16-,23+,24+,26-,27+,28-,30-,31-,32+,33+,34+,37+,39+,40-,41-/m0/s1

InChIKey

SCGIMZSPRPPEMA-AYTNJEMSSA-N

Smiles

COc1ccc(cc1)C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@H](COC(=O)C)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)C(=O)c5c(O)cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(CC=C(C)C)c5O2