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Substance Name: Hexandraside A
RN: 128988-53-4
InChIKey: NLVBYGTTYRFJKH-KYKGZLSFSA-N

Note

  • Flavonol glycoside from Vancouveria hexandra.

Molecular Formula

  • C39-H50-O20

Molecular Weight

  • 838.804
 
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Names and Synonyms

Name of Substance

  • Hexandraside A

Synonyms

  • 3-((6-Deoxy-3-O-beta-D-galactopyranosyl-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-galactosyl(1-3)rhamnoside-7-glucoside

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 128988-53-4

System Generated Number

  • 0128988534

Structure Descriptors

InChI

1S/C39H50O20/c1-14(2)5-10-18-20(54-37-30(49)28(47)25(44)21(12-40)55-37)11-19(42)23-27(46)36(33(57-34(18)23)16-6-8-17(52-4)9-7-16)59-39-32(51)35(24(43)15(3)53-39)58-38-31(50)29(48)26(45)22(13-41)56-38/h5-9,11,15,21-22,24-26,28-32,35,37-45,47-51H,10,12-13H2,1-4H3/t15-,21+,22+,24-,25+,26-,28-,29-,30+,31+,32+,35+,37+,38-,39-/m0/s1

InChIKey

NLVBYGTTYRFJKH-KYKGZLSFSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(c(c3oc2c4ccc(cc4)OC)CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O