PRD_900037
Summary
| Name: | 6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose |
| Formula: | C12 H22 O11 |
| Fomular weight: | 342.296 |
| Component type: | saccharide |
| Polymer sequences: | GLC, GLA |
| Non-polymer components: | |
| BIRD class: | Metabolism |
| Represented as: | branched |
| Description: | oligosaccharide |
| Program | Version | Name |
| ACDLabs | 12.01 | 6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy methyl]oxane-2,3,4,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(O)C(O)C(O1)CO)O)OCC2C(C(C(C(O)O2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-, 10-,11+,12+/m1/s1 |
| InChIKey | InChI | 1.03 | DLRVVLDZNNYCBX-CQHUIXDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O |
