| Phytochemical Name : Secologanin |
| PCNDIDS0069 |
| Pubchem CID : 161276 |
| Molecular formula: C17H24O10 |
| Canonical SMILES : COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O |
Synonymes : Secologanin|19351-63-4|loniceroside|(-)-Secologanin|NK7B26K93T|CHEBI:18002|methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate|METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE|tert-butyl 3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate|NSC 640525|NSC-640525|Loniceroside (iridoid)|UNII-NK7B26K93T|SCHEMBL431171|Secologanin, analytical standard|CHEMBL1235867|DTXSID30941033|2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(.beta.-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-, methyl ester, [2S-(2.alpha.,3.beta.,4.beta.)]-|AKOS040753996|LMPR0102070002|NCGC00384550-01|MS-26429|HY-125598|CS-0092439|C01852|J-012529|Q1531155|F19BE380-C97E-46CC-89C6-F6BCAFC793EC|2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-, methyl ester, (2S,3R,4S)-|3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-2H-pyran-5-carboxylic acid, methyl ester|methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate|methyl (2S,3R,4S)-4-(formylmethyl)-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-vinyl-2H-pyran-5-carboxylate|NCGC00384550-01_C17H24O10_Methyl (2S,3R,4S)-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.610 |
| Log Po/w (XLOGP3) : -1.620 |
| Log Po/w (WLOGP) : -1.780 |
| Log Po/w (MLOGP) : -1.950 |
| Log Po/w (SILICOS-IT) : -1.030 |
| Consensus Log Po/w : -0.950 |

