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Substance Name: (3beta,5beta)-3-((O-beta-D-glucopyranosyl-(1.6)-O-beta-D-glucopyranosyl-(1.4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)enolide
RN: 37597-55-0
InChIKey: TZNYAQHFGVRARB-DTTJZVPFSA-N

Molecular Formula

  • C42-H66-O19

Molecular Weight

  • 874.9644
 
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Names and Synonyms

Synonym

  • EINECS 253-563-1

Systematic Name

  • (3beta,5beta)-3-((O-beta-D-glucopyranosyl-(1.6)-O-beta-D-glucopyranosyl-(1.4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)enolide

Registry Numbers

CAS Registry Number

  • 37597-55-0

System Generated Number

  • 0037597550

Structure Descriptors

InChI

1S/C42H66O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,19,21-27,29-38,43-44,46-53H,4-11,13-18H2,1-3H3/t19-,21-,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,40-,41-,42-/m0/s1

InChIKey

TZNYAQHFGVRARB-DTTJZVPFSA-N

Smiles

C[C@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)CO)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)O)O