| Phytochemical Name : Mirificin |
| PCNDIDM0131 |
| Pubchem CID : 21676217 |
| Molecular formula: C26H28O13 |
| Canonical SMILES : C1C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O |
Synonymes : Mirificin|Puerarin apioside|103654-50-8|9FQ75MJ4HG|8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one|4H-1-Benzopyran-4-one, 8-(6-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-|Puerarinapioside|BCP10902|UNII-9FQ75MJ4HG|SCHEMBL4450630|CHEBI:85168|DTXSID301337021|HY-N2134|LMPK12050008|MFCD29048571|AKOS032946003|CS-0018685|Q27158378|(1S)-1,5-anhydro-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol|8-((2S,3R,4R,5S,6R)-6-((((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one|8-(6-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)-7-HYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE|8-(6-o-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|8-[(2S,3R,4R,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.660 |
| Log Po/w (XLOGP3) : -1.770 |
| Log Po/w (WLOGP) : -1.470 |
| Log Po/w (MLOGP) : -3.090 |
| Log Po/w (SILICOS-IT) : -0.270 |
| Consensus Log Po/w : -1.190 |