| Phytochemical Name : Tracheloside |
| PCNDIDT0081 |
| Pubchem CID : 169511 |
| Molecular formula: C27H34O12 |
| Canonical SMILES : COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC |
Synonymes : Tracheloside|33464-71-0|CU15UC170Q|(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one|UNII-CU15UC170Q|CHEMBL4210495|CHEBI:68939|DTXSID30955094|HY-N1507|MFCD00870631|s3284|AKOS030573611|AC-34426|AS-77033|CS-0017050|Q-100968|8'-HYDROXYARCTIGENIN-4'-O-.BETA.-D-GLUCOSIDE|Q27137292|(3S,4S)-4-((3,4-DIMETHOXYPHENYL)METHYL)-3-((4-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-METHOXYPHENYL)METHYL)DIHYDRO-3-HYDROXY-2(3H)-FURANONE|2(3H)-FURANONE, 4-((3,4-DIMETHOXYPHENYL)METHYL)-3-((4-(.BETA.-D-GLUCOPYRANOSYLOXY)-3-METHOXYPHENYL)METHYL)DIHYDRO-3-HYDROXY-, (3S,4S)-|2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-3-hydroxy-, (3S-cis)-|4-({4-[(3,4-Dimethoxyphenyl)methyl]-3-hydroxy-2-oxooxolan-3-yl}methyl)-2-methoxyphenyl hexopyranoside|4-{[(3S,4S)-4-(3,4-Dimethoxybenzyl)-3-hydroxy-2-oxotetrahydro-3-f uranyl]methyl}-2-methoxyphenyl -D-glucopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.900 |
| Log Po/w (XLOGP3) : 1.020 |
| Log Po/w (WLOGP) : -0.420 |
| Log Po/w (MLOGP) : -0.870 |
| Log Po/w (SILICOS-IT) : 1.440 |
| Consensus Log Po/w : 0.810 |