| Phytochemical Name : Asperuloside |
| PCNDIDA0215 |
| Pubchem CID : 84298 |
| Molecular formula: C18H22O11 |
| Canonical SMILES : CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Asperuloside|14259-45-1|rubichloric acid|UNII-V3CFI02X39|CHEBI:2881|V3CFI02X39|EINECS 238-137-5|NSC 31760|MLS002472968|NSC-31760|Asperulosid|1H-2,6-dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS-(2aalpha,5alpha,7balpha))-|DTXSID70878339|AC1L376M|AC1Q608R|C18H22O11|C18-H22-O11|((2aS,4aS,5S,7bS)-5-(beta-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta(cd)inden-4-yl)methyl acetate|(2aS-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate|[(2aS,4aS,5S,7bS)-5-(beta-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate|[2aS-(2aalpha,4aalpha,5alpha,7balpha)]-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-ylmethyl acetate|ASPERULOSIDE [MI]|CHEMBL461910|DTXCID801016393|HMS2206P12|1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(.beta.-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)-|1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(.beta.-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, [2aS-(2a.alpha.,4a.alpha.,5.alpha.,7b.alpha.)]-|HY-N1382|AKOS037514973|NCGC00380739-01|SMR001397075|CS-0016802|C09769|Q27105860|(2AS,4AS,5S,7BS)-4-((ACETYLOXY)METHYL)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2A,4A,5,7B-TETRAHYDRO-1H-2,6-DIOXACYCLOPENT(CD)INDEN-1-ONE|(2AS,4AS,5S,7BS)-4-((ACETYLOXY)METHYL)-5-(beta-D-GLUCOPYRANOSYLOXY)-2A,4A,5,7B-TETRAHYDRO-1H-2,6-DIOXACYCLOPENT(CD)INDEN-1-ONE|1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(?-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.620 |
| Log Po/w (XLOGP3) : -2.420 |
| Log Po/w (WLOGP) : -2.300 |
| Log Po/w (MLOGP) : -1.660 |
| Log Po/w (SILICOS-IT) : -1.880 |
| Consensus Log Po/w : -1.330 |

