| Phytochemical Name : Myrtillin |
| PCNDIDM0179 |
| Pubchem CID : 165558 |
| Molecular formula: C21H21ClO12 |
| Canonical SMILES : C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-] |
Synonymes : Myrtillin|6906-38-3|Mirtillin|DELPHINIDIN-3-GLUCOSIDE|Delphinidin 3-monoglucoside|Delphinidol 3-glucoside|Delphinidine 3-monoglucoside|Delphinidin-3-glucoside chloride|Delphinin|DELPHINIDIN 3-GLUCOSIDE CHLORIDE|Delphinidin 3-O-glucoside chloride|UNII-474A9U89JS|474A9U89JS|Delphinidin 3-O-beta-D-glucopyranoside|Delphinidin 3-glucoside (chloride)|delphinidin 3-O-beta-glucoside|(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride|Delphinidin-3-O-glucoside chloride|Delphinidin 3-O-beta-glucopyranoside chloride|Flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride|1-Benzopyrylium, 5,7-dihydroxy-3-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-, chloride|Delphinidin 3-monoglucoside (chloride)|Myrtillin (6CI)|Delphinidin 3-D-Glucoside|SCHEMBL675415|C21H21O12.Cl|CHEBI:189576|C21-H21-O12.Cl|Delphinidin 3- beta -D-Glucoside|DTXSID901028800|MFCD01762899|LS-40158|Delphinidin 3-O-beta-D-glucoside chloride|HY-108052|CS-0027237|Delphinidin-3-glucoside chloride , HPLC Grade|Q945655|DELPHINIDIN 3-O-GLUCOSIDE CHLORIDE [WHO-DD]|Delphinidin 3-O-beta-D-glucoside chloride, analytical standard|3,3',4',5,5',7-Hexahydroxyflavylium chloride, mono-beta-D-glucopyranoside|Delphinidin glucoside (chloride); Delphinidin-3-O--D-glucoside (chloride)|1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)|1-BENZOPYRYLIUM, 3-(beta-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)|5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromenylium chloride|5,7-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromenyliumchloride|5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2-(3,4,5-trihydroxyphenyl)chromenylium chloride |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -5.810 |
| Log Po/w (XLOGP3) : 0.580 |
| Log Po/w (WLOGP) : -2.910 |
| Log Po/w (MLOGP) : -2.030 |
| Log Po/w (SILICOS-IT) : -2.380 |
| Consensus Log Po/w : -2.510 |

