α-D-Xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  alpha-D-Xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta)-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

• 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]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)CO)O)O)O)O)O[C@@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O

• Std. InChi

  InChI=1S/C53H86O23/c1-22-40(73-43-37(65)31(59)26(58)20-69-43)36(64)39(67)44(70-22)74-41-35(63)33(61)28(19-55)72-46(41)76-47(68)53-14-12-48(2,3)16-24(53)23-8-9-30-49(4)17-25(57)42(75-45-38(66)34(62)32(60)27(18-54)71-45)50(5,21-56)29(49)10-11-52(30,7)51(23,6)13-15-53/h8,22,24-46,54-67H,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-,49-,50-,51+,52+,53-/m0/s1

• Std. InChIKey

  VRDCOPNSCZLBLD-XWGGEMOASA-N

• Cite this record

  CSID:65258404, http://www.chemspider.com/Chemical-Structure.65258404.html (accessed 02:38, Apr 25, 2024)