PRD_900063
Summary
Name: | beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose |
Formula: | C18 H32 O16 |
Fomular weight: | 504.437 |
Component type: | saccharide |
Polymer sequences: | FRU, FRU, FRU |
Non-polymer components: | |
BIRD class: | Metabolism |
Represented as: | branched |
Description: | oligosaccharide |
Program | Version | Name |
ACDLabs | 12.01 | beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose |
OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{S},5~{R})-5-[[(2~{R},3~{S},4~{S},5~{R})-5-[[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(ox idanyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-t riol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCC1OC(C(C1O)O)(OCC2C(C(C(O2)(CO)OCC3OC(CO)(O)C(C3O)O)O)O)CO |
InChI | InChI | 1.03 | InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/ h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1 |
InChIKey | InChI | 1.03 | ZFTFOHBYVDOAMH-XNOIKFDKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO)(OC[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | OC[CH]1O[C](CO)(OC[CH]2O[C](CO)(OC[CH]3O[C](O)(CO)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)OCC3C(C(C(O3)(CO)O)O)O)O)O)O)O)O |