(3β,5ξ,18ξ,21β,22α)-28-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,21,22-trihydroxyolean-12-en-24-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

More details:

• Systematic name

  (3beta,5xi,18xi,21beta,22alpha)-28-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-3,21,22-trihydroxyolean-12-en-24-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

• SMILES

  O[C@@H]9[C@@H](O)[C@H](O)[C@H](O[C@H]9O[C@@H]8[C@@H](O)[C@H](O)[C@H](O[C@H]8OC[C@@]72C(/C1=C/C[C@H]6[C@](C)([C@]1(C)CC2)CCC3[C@]6(C)CC[C@H](O)[C@]3(C)CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)CC(C)(C)[C@@H](O)[C@@H]7O)CO)CO

• Std. InChi

  InChI=1S/C54H90O24/c1-22-31(59)35(63)39(67)45(73-22)77-41-37(65)33(61)26(18-56)75-47(41)71-20-51(5)28-10-13-53(7)29(50(28,4)12-11-30(51)58)9-8-23-24-16-49(2,3)43(69)44(70)54(24,15-14-52(23,53)6)21-72-48-42(38(66)34(62)27(19-57)76-48)78-46-40(68)36(64)32(60)25(17-55)74-46/h8,22,24-48,55-70H,9-21H2,1-7H3/t22-,24?,25+,26+,27+,28?,29+,30-,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,50-,51+,52+,53+,54-/m0/s1

• Std. InChIKey

  JEMWHOANEWZKOU-NZOZRALPSA-N

• Cite this record

  CSID:9312061, http://www.chemspider.com/Chemical-Structure.9312061.html (accessed 19:18, Jul 2, 2024)