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Substance Name: Cassiglucin
RN: 73815-19-7
InChIKey: YFTRUHDULQIREQ-JHAQKXAFSA-N

Molecular Weight

  • 640.5438
 
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Names and Synonyms

Results Name

  • Cassiglucin

Synonyms

  • Cassiglucin
  • Isorhamnetin-3-O-beta-D-galactopyranosyl-O-beta-D-glucoside

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-((4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 73815-19-7

System Generated Number

  • 0073815197

Structure Descriptors

InChI

1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-26(19(35)17-12(33)5-10(31)6-14(17)41-24)45-28-23(39)21(37)25(16(8-30)43-28)44-27-22(38)20(36)18(34)15(7-29)42-27/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3/t15-,16-,18+,20+,21-,22-,23-,25-,27+,28+/m1/s1

InChIKey

YFTRUHDULQIREQ-JHAQKXAFSA-N

Smiles

COc1cc(ccc1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C(=O)c5c(O)cc(O)cc5O2