| Phytochemical Name : Gastrodin |
| PCNDIDG0037 |
| Pubchem CID : 115067 |
| Molecular formula: C13H18O7 |
| Canonical SMILES : C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O |
Synonymes : Gastrodin|62499-27-8|Gastrodine|UNII-5YS9U2W3RQ|5YS9U2W3RQ|4-(Hydroxymethyl)phenyl beta-D-Glucopyranoside|beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl|(-)-GASTRODIN|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol|CHEMBL274739|CHEBI:80828|4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triol|4-(beta-D-glucopyranosyloxy)benzyl alcohol|Gastrodin,(S)|Gastrodin (Gastrodine)|GASTRODIN [MI]|GASTRODIN [INCI]|2H-pyran-3,4,5-triol|GASTRODIN [WHO-DD]|SCHEMBL1076037|Gastrodin, >=98% (HPLC)|DTXSID30978086|HMS3884L15|HY-N0115|BDBM50177403|MFCD00272169|s2383|(4-(hydroxymethyl)phenoxy)tetrahydro-|AKOS015951256|4-|A-D-Glucopyranosyloxybenzyl alcohol|AC-8028|BCP9000710|CCG-267336|CS-7969|NCGC00346601-02|AS-17473|Gastrodin, from Gastrodia alata, >=98%|4-[beta-d-glucopyranosyloxy] benzyl alcohol|LS-183144|4-(beta-D-GLUCOPYRANOSYL)-BENZYLALCOHOL|4-(Hydroxymethyl)phenylbeta-D-Glucopyranoside|b-D-Glucopyranoside, 4-(hydroxymethyl)phenyl|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-|C16964|4-(.BETA.-D-GLUCOPYRANOSYL)-BENZYLALCOHOL|A833810|Q-100720|Q5526833|4-(.BETA.-D-GLUCOPYRANOSYLOXY)BENZYL ALCOHOL|beta-D-GLUCOPYRANOSIDE, 4-(HYDROXYMETHYL)PHENYL-|.BETA.-D-GLUCOPYRANOSIDE, 4-(HYDROXYMETHYL)PHENYL|.BETA.-D-GLUCOPYRANOSIDE, 4-(HYDROXYMETHYL)PHENYL-|4-HYDROXYBENZYL ALCOHOL 4-O-beta-D-GLUCOPYRANOSIDE|4-HYDROXYBENZYL ALCOHOL 4-O-.BETA.-D-GLUCOPYRANOSIDE|NCGC00346601-02_C13H18O7_beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(hydroxymethyl)phenoxy)-tetrahydro-2H-pyran-3,4,5-triol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.240 |
| Log Po/w (XLOGP3) : -1.410 |
| Log Po/w (WLOGP) : -1.790 |
| Log Po/w (MLOGP) : -1.480 |
| Log Po/w (SILICOS-IT) : -0.850 |
| Consensus Log Po/w : -0.860 |