(3β,5α,22R,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxy-12-oxofurostan-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside

More details:

• Systematic name

  (3beta,5alpha,22R,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxy-12-oxofurostan-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside

• SMILES

  C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

• Std. InChi

  InChI=1S/C56H92O29/c1-20(18-75-49-43(71)39(67)36(64)29(14-57)78-49)7-10-56(74)21(2)34-28(85-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)77-51-45(73)41(69)46(32(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)30(15-58)79-52)47(38(66)31(16-59)80-53)83-50-42(70)35(63)27(61)19-76-50/h20-32,34-53,57-61,63-74H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,34+,35+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53+,54+,55-,56-/m1/s1

• Std. InChIKey

  BHLUWQFMLVBJAR-ADZCVLLUSA-N

• Cite this record

  CSID:9962834, http://www.chemspider.com/Chemical-Structure.9962834.html (accessed 10:40, Apr 19, 2024)