PRD_900116
Summary
| Name: | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose |
| Formula: | C10 H18 O9 |
| Fomular weight: | 282.245 |
| Component type: | saccharide |
| Polymer sequences: | XYP, XYP |
| Non-polymer components: | |
| BIRD class: | metabolism |
| Represented as: | branched |
| Description: | oligosaccharide |
| Program | Version | Name |
| ACDLabs | 12.01 | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S},5~{R})-2-[(3~{R},4~{R},5~{R},6~{R})-4,5,6-tris(oxidanyl)oxan-3-yl]oxyoxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(C(O)C(OC1)OC2COC(O)C(C2O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | LGQKSQQRKHFMLI-SJYYZXOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CO[CH](O[CH]2CO[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(O1)OC2COC(C(C2O)O)O)O)O)O |
