| Phytochemical Name : 5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one |
| PCNDIDOT0949 |
| Pubchem CID : 5481218 |
| Molecular formula: C21H20O10 |
| Canonical SMILES : C1=CC(=C2C(=C1)OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O |
Synonymes : 3-(beta-D-Glucopyranosyloxy)-5,4'-dihydroxyflavone|5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.480 |
| Log Po/w (XLOGP3) : 1.070 |
| Log Po/w (WLOGP) : 0.050 |
| Log Po/w (MLOGP) : -1.610 |
| Log Po/w (SILICOS-IT) : 0.350 |
| Consensus Log Po/w : 0.270 |