| Phytochemical Name : Pteroside B |
| PCNDIDP0207 |
| Pubchem CID : 134279 |
| Molecular formula: C20H28O7 |
| Canonical SMILES : CC1CC2=C(C1=O)C(=C(C(=C2)C)CCOC3C(C(C(C(O3)CO)O)O)O)C |
Synonymes : Pteroside B|29774-74-1|Pterosin B glucoside|BRN 1690970|(2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one|1H-Inden-1-one, 2,3-dihydro-6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,5,7-trimethyl-, (R)-|CHEMBL4089910|DTXSID40183922|CHEBI:166497|AKOS040735121|LS-81833|(2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]indan-1-one|1H-Inden-1-one, 6-[2-(.beta.-D-glucopyranosyloxy)ethyl]-2,3-dihydro-2,5,7-trimethyl-, (R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.740 |
| Log Po/w (XLOGP3) : 0.950 |
| Log Po/w (WLOGP) : 0.040 |
| Log Po/w (MLOGP) : -0.130 |
| Log Po/w (SILICOS-IT) : 2.000 |
| Consensus Log Po/w : 1.120 |