PRD_900068
Summary
| Name: | 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose |
| Formula: | C12 H22 O14 S |
| Fomular weight: | 422.36 |
| Component type: | saccharide |
| Polymer sequences: | BGC, SGA |
| Non-polymer components: | |
| BIRD class: | Glycan component |
| Represented as: | branched |
| Description: | oligosaccharide |
| Program | Version | Name |
| ACDLabs | 12.01 | 4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxid anyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(C(C(CO)O1)O)OS(=O)(O)=O)O)OC2C(C(C(O)OC2CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H22O14S/c13-1-3-5(15)10(26-27(20,21)22)8(18)12(24-3)25-9-4(2-14)23-11(19)7(17)6(9)16/h3-19H,1-2H2,(H,20,21, 22)/t3-,4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | ZMPFTLRVVIHHOO-QFKDBGNMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O[S](O)(=O)=O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)OS(=O)(=O)O)O)O |
