| PDB CCD ID: | IEC |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C21 H24 O6 S |
| InChI: | InChI=1S/C21H24O6S/c1-12(13-3-7-15(26-2)8-4-13)14-5-9-16(10-6-14)28-21-20(25)19(24)18(23)17(11-22)27-21/h3-10,17-25H,1,11H2,2H3/t17-,18+,19+,20-,21+/m1/s1 |
| InChIKey: | FXBHOHBIBVREQU-IFLJBQAJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1ccc(cc1)C(=C)c2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2 | | OpenEye OEToolkits 2.0.7 | COc1ccc(cc1)C(=C)c2ccc(cc2)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O | | CACTVS 3.385 | COc1ccc(cc1)C(=C)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2 | | OpenEye OEToolkits 2.0.7 | COc1ccc(cc1)C(=C)c2ccc(cc2)SC3C(C(C(C(O3)CO)O)O)O |
|
| Name: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol;
Biaryl-thiogalactoside |
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