6-O-β-D-Glucopyranosyl-1-O-[(3β,5ξ,9ξ)-3-{[β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  6-O-beta-D-Glucopyranosyl-1-O-[(3beta,5xi,9xi)-3-{[beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

• SMILES

  O=C(O[C@@H]2O[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]%104[C@H](/C3=C/CC9[C@](C)([C@]3(C)CC4)CCC8[C@]9(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6O)C8(C)C)CC(C)(C)CC%10

• Std. InChi

  InChI=1S/C59H96O26/c1-24-34(63)46(83-49-43(72)40(69)37(66)29(21-61)80-49)45(74)51(78-24)84-47-35(64)27(62)22-76-52(47)82-33-12-13-56(6)31(55(33,4)5)11-14-58(8)32(56)10-9-25-26-19-54(2,3)15-17-59(26,18-16-57(25,58)7)53(75)85-50-44(73)41(70)38(67)30(81-50)23-77-48-42(71)39(68)36(65)28(20-60)79-48/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27+,28+,29+,30+,31?,32?,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1

• Std. InChIKey

  UTALRKDQMPEZAD-FMNDSHLRSA-N

• Cite this record

  CSID:9655126, http://www.chemspider.com/Chemical-Structure.9655126.html (accessed 17:26, Apr 23, 2024)