| Phytochemical Name : Aucubin |
| PCNDIDA0233 |
| Pubchem CID : 91458 |
| Molecular formula: C15H22O9 |
| Canonical SMILES : C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : Aucubin|479-98-1|rhinanthin|Aucuboside|UNII-2G52GS8UML|EINECS 207-540-8|2G52GS8UML|NSC 407293|Rhimantin|CHEBI:69796|1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside|NSC-407293|(1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl beta-D-glucopyranoside|aucubuside|(1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol|Aucubine|[1S-(1alpha,4aalpha,5alpha,7aalpha)]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside|MFCD00136026|AUCUBIN [MI]|Aucubin, analytical standard|MLS002473252|SCHEMBL381032|CHEMBL514882|MEGxp0_001729|ACon1_002452|DTXSID60963965|HMS3098B08|HY-N0664|s5459|AKOS015896774|CCG-267985|CS-5367|LMPR0102070006|NCGC00169833-01|NCGC00169833-02|(2S,3R,4S,5S,6R)-2-(((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|AC-33938|AS-74899|SMR001397339|LS-183147|AUCUBIN (CONSTITUENT OF CHASTE TREE)|C09771|A827419|Aucubin, primary pharmaceutical reference standard|Q418014|Q-100516|(1S,4AR,5S,7AS)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA(C)PYRAN-1-YL-.BETA.-D-GLUCOPYRANOSIDE|(1S,4AR,5S,7AS)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA(C)PYRAN-1-YL-beta-D-GLUCOPYRANOSIDE|(2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-((1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-{[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|.beta.-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl|B-D-GLUCOPYRANOSIDE, (1S,4AR,5S,7AS)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA[C]PYRAN-1-YL |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.440 |
| Log Po/w (XLOGP3) : -3.020 |
| Log Po/w (WLOGP) : -2.800 |
| Log Po/w (MLOGP) : -2.290 |
| Log Po/w (SILICOS-IT) : -2.780 |
| Consensus Log Po/w : -1.890 |

