α-L-Arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-β-D-xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-D-mannopyranosyl-(1->2)- 6-deoxy-1-O-[(2β,3β,9ξ,18ξ)-3-(β-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-β-L-galactopyranose

More details:

• Systematic name

  alpha-L-Arabinopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-beta-D-xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-D-mannopyranosyl-(1->2)- 6-deoxy-1-O-[(2beta,3beta,9xi,18xi)-3-(beta-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-beta-L-galactopyranose

• SMILES

  C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC(=O)[C@@]23CC[C@@]4(C(=CCC5[C@]4(CC[C@@H]6[C@@]5(C[C@@H]([C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)C2CC(CC3)(C)C)CO)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O)O)O

• Std. InChi

  InChI=1S/C69H110O37/c1-25-36(76)42(82)51(104-58-47(87)50(103-60-52(88)69(92,23-73)24-95-60)48(26(2)97-58)101-55-46(86)49(102-54-43(83)37(77)30(75)20-93-54)33(21-94-55)100-56-44(84)40(80)38(78)31(18-70)98-56)59(96-25)106-62(91)67-13-12-63(3,4)16-28(67)27-8-9-34-64(5)17-29(74)53(105-57-45(85)41(81)39(79)32(19-71)99-57)66(7,61(89)90)35(64)10-11-65(34,6)68(27,22-72)15-14-67/h8,25-26,28-60,70-88,92H,9-24H2,1-7H3,(H,89,90)/t25-,26+,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-,53-,54-,55-,56-,57-,58+,59+,60-,64+,65+,66-,67-,68-,69+/m0/s1

• Std. InChIKey

  VYNXOOKMMMDMJH-XFNHPOKCSA-N

• Cite this record

  CSID:30788556, http://www.chemspider.com/Chemical-Structure.30788556.html (accessed 21:52, Apr 16, 2024)