Names and Identifiers

• • SQUARROSIDE A
  • 2)]-4-O-acetyl-6-deoxy-b-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-ylO-b-D-galactopyranosyl-(1&reg
  • 3-O-beta-D-Galactopyranosyl-(1-2)-(beta-D-xylopyranosyl-(1-3))-beta-D-glucoronopyranosyl gypsogenin 28-O-beta-D-xylopyranosyl-(1-4)-alpha-D-rhamnopyranosyl-(1-2)-(alpha-L-arabinofuranosy-(1-3))-beta-D-4-O-acetylfucopyranoside
  • 4)-6-deoxy-a-L-mannopyranosyl-(1&reg
  • β-D-Glucopyranosiduronic acid, (3β,4α)-28-[(O-α-L-arabinofuranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-4-O-acetyl-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-
  • squarroside A
  • +expand
• • Inchi： 1S/C71H110O36/c1-26-50(101-58-44(84)38(78)31(76)23-93-58)43(83)48(88)60(95-26)106-56-54(104-61-46(86)41(81)34(22-73)99-61)51(97-28(3)75)27(2)96-63(56)107-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-74)35(67)12-15-70(36,9)69(29,8)17-19-71)100-64-55(105-62-47(87)42(82)40(80)33(21-72)98-62)52(49(89)53(103-64)57(90)91)102-59-45(85)39(79)32(77)24-94-59/h10,25-27,30-56,58-64,72-73,76-89H,11-24H2,1-9H3,(H,90,91)/t26-,27+,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+,58-,59-,60-,61-,62-,63-,64+,67-,68-,69+,70+,71-/m0/s1
  • InChI Key： HXYTVNHXQDFALL-WGQUOHCLSA-N
  • SMILES： C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O[C@]5([H])O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@]6([H])OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@]5([H])[C@@H]([C@@H](O)[C@@H](O)[C@@H](CO)O5)O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2)C)(=O)O[C@@H]1O[C@H](C)[C@H](OC(=O)C)[C@H](O[C@@]2([H])[C@@H]([C@@H](O)[C@H](CO)O2)O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O[C@]2([H])OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O

Computed Properties