|
| Ligand ID | P8G |
| InChI | InChI=1S/C25H40N6O16/c1-42-25-20(41)22(16(37)13(6-34)47-25)44-8-10-3-31(29-27-10)24-19(40)21(15(36)12(5-33)46-24)43-7-9-2-30(28-26-9)23-18(39)17(38)14(35)11(4-32)45-23/h2-3,11-25,32-41H,4-8H2,1H3/t11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25-/m1/s1 |
| InChIKey | ZQXDLGAORGHMLS-LZGLEUEQSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCc4cn(nn4)[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]3O)[C@H]1O | | OpenEye OEToolkits 2.0.7 | COC1C(C(C(C(O1)CO)O)OCc2cn(nn2)C3C(C(C(C(O3)CO)O)OCc4cn(nn4)C5C(C(C(C(O5)CO)O)O)O)O)O | | OpenEye OEToolkits 2.0.7 | CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O | | CACTVS 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH](OCc4cn(nn4)[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]3O)[CH]1O |
|
| Formula | C25 H40 N6 O16 |
| Name | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 6q0q Chain A Residue 302
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
