| Phytochemical Name : Isomangiferin |
| PCNDIDI0091 |
| Pubchem CID : 5318597 |
| Molecular formula: C19H18O11 |
| Canonical SMILES : C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
Synonymes : Isomangiferin|24699-16-9|9H-Xanthen-9-one, 4-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-|4-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-one|1,3,6,7-Tetrahydroxy-4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one|4-Glucosyl-1,3,6,7-tetrahydroxyxanthone|JJ747C4BW7|SCHEMBL20597612|CHEBI:80840|DTXSID30179435|HY-N0772|MFCD00238624|AKOS024465129|CS-4662|AC-35047|AS-77281|4-C-Glucosyl-1,3,6,7-tetrahydroxyxanthone|C16979|Q-100321|Q27151338|9H-Xanthen-9-one, 4-ss-D-glucopyranosyl-1,3,6,7-tetrahydroxy-|(1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.910 |
| Log Po/w (XLOGP3) : -0.370 |
| Log Po/w (WLOGP) : -1.040 |
| Log Po/w (MLOGP) : -2.660 |
| Log Po/w (SILICOS-IT) : -0.680 |
| Consensus Log Po/w : -0.570 |