| Phytochemical Name : Harpagoside |
| PCNDIDH0009 |
| Pubchem CID : 5281542 |
| Molecular formula: C24H30O11 |
| Canonical SMILES : CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4 |
Synonymes : Harpagoside|19210-12-9|E-harpagoside|UNII-8KGS1DC5ZU|8KGS1DC5ZU|EINECS 242-881-6|CHEBI:5625|[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate|C24H30O11|SMR001233395|Harpaside|(1S-(1alpha,4aalpha,5alpha,7alpha(E),7aalpha))-1,4a,5,6,7,7a-Hexahydro-4a,5-dihydroxy-7-methyl-7-((allyl-1-oxo-3-phenyl)oxy)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside|[1S-[1alpha,4aalpha,5alpha,7alpha(E),7aalpha]]-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-7-[(allyl-1-oxo-3-phenyl)oxy]cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside|Prestwick3_000988|HARPAGOSIDE [INCI]|BSPBio_001055|HARPAGOSIDE [WHO-DD]|MLS002154086|MLS002473324|SCHEMBL893387|BPBio1_001161|CHEMBL516702|MEGxp0_000469|Harpagoside, analytical standard|ACon0_000056|ACon1_000134|DTXSID101032528|HMS2098E17|HMS2231N12|HY-N0396|MFCD00017415|s9171|AKOS015896715|CCG-269650|LMPR0102070010|NCGC00179325-01|NCGC00179325-02|NCGC00179325-04|AC-34268|AS-56071|AB00513986|CS-0008931|C09783|H10494|EN300-7357122|A880338|Q-100231|BRD-K07996107-001-01-7|BRD-K07996107-001-03-3|Harpagoside, primary pharmaceutical reference standard|Q25099323|Harpagoside, European Pharmacopoeia (EP) Reference Standard|(1S,4aS,5R,7S,7aS)-4a,5-Dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl cinnamate|(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl cinnamate|(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl (2E)-3-phenylprop-2-enoate|.BETA.-D-GLUCOPYRANOSIDE, (1S,4AS,5R,7S,7AS)-1,4A,5,6,7,7A-HEXAHYDRO-4A,5-DIHYDROXY-7-METHYL-7-(((2E)-1-OXO-3-PHENYL-2-PROPENYL)OXY)CYCLOPENTA(C)PYRAN-1-YL|beta-D-GLUCOPYRANOSIDE, (1S,4AS,5R,7S,7AS)-1,4A,5,6,7,7A-HEXAHYDRO-4A,5-DIHYDROXY-7-METHYL-7-(((2E)-1-OXO-3-PHENYL-2-PROPENYL)OXY)CYCLOPENTA(C)PYRAN-1-YL|beta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-7-((1-oxo-3-phenyl-2-propenyl)oxy)cyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,5alpha,7alpha(E),7aalpha))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.760 |
| Log Po/w (XLOGP3) : -0.610 |
| Log Po/w (WLOGP) : -1.310 |
| Log Po/w (MLOGP) : -1.310 |
| Log Po/w (SILICOS-IT) : -1.010 |
| Consensus Log Po/w : -0.290 |

