22-{[2-O-(β-D-Allopyranosyl)-β-D-ribopyranosyl]oxy}-23-hydroxyolean-12-en-2-yl 6-deoxy-β-D-gulopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-β-D-allopyranosiduronic acid

More details:

• Systematic name

  22-{[2-O-(beta-D-Allopyranosyl)-beta-D-ribopyranosyl]oxy}-23-hydroxyolean-12-en-2-yl 6-deoxy-beta-D-gulopyranosyl-(1->2)-beta-D-gulopyranosyl-(1->2)-beta-D-allopyranosiduronic acid

• SMILES

  C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@@H]([C@@H]([C@H](O[C@H]3OC4CC(C5CCC6(C(C5(C4)C)CC=C7C6(CCC8(C7CC(CC8O[C@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C)C)C)C)(C)CO)C(=O)O)O)O)CO)O)O)O)O)O

• Std. InChi

  InChI=1S/C59H96O27/c1-23-33(64)37(68)42(73)49(78-23)85-46-39(70)36(67)29(20-61)81-53(46)86-47-41(72)40(71)44(48(75)76)83-52(47)79-24-15-55(4,22-62)30-11-12-59(8)31(57(30,6)16-24)10-9-25-26-17-54(2,3)18-32(56(26,5)13-14-58(25,59)7)82-51-45(34(65)27(63)21-77-51)84-50-43(74)38(69)35(66)28(19-60)80-50/h9,23-24,26-47,49-53,60-74H,10-22H2,1-8H3,(H,75,76)/t23-,24?,26?,27-,28-,29-,30?,31?,32?,33+,34-,35-,36+,37-,38-,39-,40+,41-,42-,43-,44+,45-,46-,47-,49+,50+,51+,52-,53+,55?,56?,57?,58?,59?/m1/s1

• Std. InChIKey

  OQTFNVWNIAEUMA-RDWIMHGPSA-N

• Cite this record

  CSID:10142708, http://www.chemspider.com/Chemical-Structure.10142708.html (accessed 19:07, Jun 26, 2024)