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| Ligand ID | GKC |
| InChI | InChI=1S/C19H34O11/c20-6-10-12(22)13(23)15(25)19(28-10)30-17-11(7-21)29-18(16(26)14(17)24)27-8-9-4-2-1-3-5-9/h9-26H,1-8H2/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1 |
| InChIKey | BBUKPWNPDDHXDR-CRINDFDSSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O | | CACTVS 3.385 | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.7 | C1CCC(CC1)COC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O | | CACTVS 3.385 | OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
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| Formula | C19 H34 O11 |
| Name | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000025725098
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| PDB chain | 7ctq Chain B Residue 502
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[View ligand structure]
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