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Substance Name: 6'-O-bea-Glucosylaucubin
RN: 78392-84-4
InChIKey: KKQJWITWXVRRGR-QHRWLNFYSA-N

Molecular Weight

  • 508.47
 
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Names and Synonyms

Results Name

  • 6'-O-bea-Glucosylaucubin

Synonym

  • Aucubigenin 1-O-beta-gentiobioside

Systematic Name

  • beta-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl 6-O-beta-D-glucopyranosyl-, (1S-(1alpha,4aalpha,5alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 78392-84-4

System Generated Number

  • 0078392844

Structure Descriptors

InChI

1S/C21H32O14/c22-5-9-2-1-8-3-4-31-18(11(8)9)34-20-16(28)14(26)17(29)21(30,35-20)7-32-19-15(27)13(25)12(24)10(6-23)33-19/h2-4,8,10-20,22-30H,1,5-7H2/t8-,10+,11+,12+,13-,14+,15+,16+,17-,18?,19+,20-,21-/m0/s1

InChIKey

KKQJWITWXVRRGR-QHRWLNFYSA-N

Smiles

O([C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@](O1)(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)[C@@H]1[C@@H]2[C@H](C=CO1)CC=C2CO