PRD_002548
Summary
| Name: | Agrocinopine C-like (D-glucos-2-yl sucros-1-yl phosphate; beta-D-glucose form) |
| Formula: | C18 H33 O19 P |
| Fomular weight: | 584.417 |
| Component type: | saccharide |
| Polymer sequences: | GLC, FRU |
| Non-polymer components: | |
| BIRD class: | Nutrient |
| Represented as: | branched |
| Compound Details: | Isomer of Agrocinopine C. Agrocinopine C is a member of the class of agrocinopines that consists of sucrose and D-glucose joined via a phosphodiester linkage. |
| Description: | Phosphodiester of D-beta-glucose (BNX) and sucrose (GLC-FRU). |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O)[C@@H](O[P](O)(=O)OC[C@]2(O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O[P](O)(=O)OC[C]2(O[CH](CO)[CH](O)[CH]2O)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)O)OP(=O)(O)OCC2(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
