Obsolete: FNY
Summary
| Name: | 1-FRUCTOFURANOSYL-D-NYSTOSE |
| Formula: | C30 H52 O26 |
| Formal charge: | 0 |
| Formula weight: | 828.718 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4R,5S,6S)-2-[(2S,3R,4R,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C30H52O26/c31-1-10-15(37)20(42)21(43)26(51-10)56-30(25(47)19(41)14(5-35)55-30)9-50-29(24(46)18(40)13(4-34)54-29)8-49-28(23(45)17(39)12(3-33)53-28)7-48-27(6-36)22(44)16(38)11(2-32)52-27/h10-26,31-47H,1-9H2/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30-/m0/s1 |
| InChIKey | InChI | 1.03 | QNTKVQQLMHZOKP-OZEFEZCKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1O[C@H](O[C@]2(CO[C@]3(CO[C@]4(CO[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O[C]2(CO[C]3(CO[C]4(CO[C]5(CO)O[CH](CO)[CH](O)[CH]5O)O[CH](CO)[CH](O)[CH]4O)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@]2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O |
