| Phytochemical Name : Icariside I |
| PCNDIDI0006 |
| Pubchem CID : 5745470 |
| Molecular formula: C27H30O11 |
| Canonical SMILES : CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)OC)O)OC4C(C(C(C(O4)CO)O)O)O)C |
Synonymes : Icariside I|56725-99-6|ICARISID I|Baohuoside-1|Lcariside I|3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|BRN 0072036|3,5,7-Trihydroxy-4'-methoxy-8'-prenylflavone-3-O-alpha-L-rhamnopranoxide|4-18-00-03374 (Beilstein Handbook Reference)|4H-1-Benzopyran-4-one, 3,5-dihydroxy-7-(beta-D-glucopyranosyloxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-|IcarisideI|Icariside-I|icariside 1|Icariin I|C27H30O11|Anhydroicaritin-7-O-glucoside|CHEMBL558499|SCHEMBL4215872|DTXSID30205283|HY-N1939|MFCD01662755|s3247|AKOS016013487|AC-34999|AS-78068|LS-39594|CS-0018250|3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside|3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.660 |
| Log Po/w (XLOGP3) : 2.970 |
| Log Po/w (WLOGP) : 1.570 |
| Log Po/w (MLOGP) : -0.920 |
| Log Po/w (SILICOS-IT) : 2.230 |
| Consensus Log Po/w : 1.900 |