| Phytochemical Name : Loganic acid |
| PCNDIDL0087 |
| Pubchem CID : 89640 |
| Molecular formula: C16H24O10 |
| Canonical SMILES : CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O |
Synonymes : Loganic acid|22255-40-9|Loganate|UX3J3KK2UG|(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid|CHEBI:30632|EINECS 244-875-9|(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid|Norloganin|Loganic-acid|Loganin acid|(1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylic acid|[1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha)]-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid|C16H24O10|MFCD00017417|Spectrum_001509|SpecPlus_000543|Spectrum2_001971|Spectrum3_001930|Spectrum4_001690|Spectrum5_000340|UNII-UX3J3KK2UG|BSPBio_003530|KBioGR_001960|KBioSS_001989|DivK1c_006639|SCHEMBL308008|SPECTRUM1504071|SPBio_002121|CHEMBL1081585|KBio1_001583|KBio2_001989|KBio2_004557|KBio2_007125|KBio3_002760|DTXSID80944913|HY-N0513|CCG-39437|AKOS032962058|SDCCGMLS-0066805.P001|Loganic acid, >=95% (LC/MS-ELSD)|NCGC00178007-01|NCGC00178007-02|MS-26101|CS-0009052|S9191|C01512|A878637|W-107488|Q19597767|(1S,4AS,6S,7R,7AS)-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-METHYLCYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID|(1S,4aS,6S,7R,7aS)-6-hydroxy-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-4-carboxylic acid|(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid|[1S-(1a,4aa,6a,7a,7aa)]-1-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid|CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-METHYL-, (1S-(1.ALPHA.,4A.ALPHA.,6.ALPHA.,7.ALPHA.,7A.ALPHA.))-|CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1.ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A.ALPHA.,5,6,7,7A.ALPHA.-HEXAHYDRO-6.ALPHA.-HYDROXY-7.ALPHA.-METHYL-|EQV |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.260 |
| Log Po/w (XLOGP3) : -1.710 |
| Log Po/w (WLOGP) : -2.240 |
| Log Po/w (MLOGP) : -2.000 |
| Log Po/w (SILICOS-IT) : -2.720 |
| Consensus Log Po/w : -1.480 |