| Phytochemical Name : Indican |
| PCNDIDI0013 |
| Pubchem CID : 441564 |
| Molecular formula: C14H17NO6 |
| Canonical SMILES : C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : 487-60-5|INDICAN|3-Indolyl-b-D-glucopyranoside|3-Indoxyl-beta-D-glucopyranoside|Indoxyl beta-D-glucoside|Indikan|Indican (plant indican)|Indican, plant|Indican (glucoside)|3-(Glucosyloxy)indole|NSC 87517|1H-indol-3-yl beta-D-glucopyranoside|N187WK1Y1J|CHEBI:16700|1H-Indol-3-yl beta-glucopyranoside|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol|NSC-87517|Indoxyl |A-D-glucoside|Indoxyl-beta-D-glucoside|(2S,3R,4S,5S,6R)-2-((1H-Indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|Indoxyl-.beta.-D-glucoside|NSC87517|Indican-Reaktion|3-Indolyl-beta-D-glucopyranoside|.beta.-D-Glucopyranoside, 1H-indol-3-yl|MFCD00047169|INDICAN [MI]|3-(beta-glucosido)indole|Indoxyl beta -D-glucoside|INDOXYL ?-GLUCOSIDE|SCHEMBL15756|INDOXYLBETA-D-GLUCOSIDE|CHEMBL2063300|DTXSID10903997|Indoxyl beta-D-glucoside, >=97%|1H-Indol-3-yl-beta-D-glucopyranoside|AKOS016844826|3-Indolyl |A-D-glucopyranoside, 98%|beta-D-Glucopyranoside, 1H-indol-3-yl|Indole, 3-(beta-D-glucopyranosyloxy)-|SMP2_000304|AS-59844|3-(beta-D-Glucosido)indole, Plant indican|HY-122009|CS-0078782|Indoxyl beta-D-glucoside, BioXtra, >=97%|1H-INDOL-3-YL-.BETA.-D-GLUCOPYRANOSIDE|A871882|Q418392|Indoxyl beta-D-glucoside, Vetec(TM) reagent grade, 97%|2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5- triol|(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-(1H-indol-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.260 |
| Log Po/w (XLOGP3) : -0.110 |
| Log Po/w (WLOGP) : -0.650 |
| Log Po/w (MLOGP) : -1.130 |
| Log Po/w (SILICOS-IT) : -0.180 |
| Consensus Log Po/w : -0.160 |