| Phytochemical Name : [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| PCNDIDOT0297 |
| Pubchem CID : 124024 |
| Molecular formula: C27H24O18 |
| Canonical SMILES : C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
Synonymes : [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate|UNII-MD4L7VNE2T|D07WLU|1,2,6-Tri-O-galloyl-.beta.-D-glucose|1,2,6-Tri-O-galloyl-.beta.-D-glucopyranose|.beta.-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)|[(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.640 |
| Log Po/w (XLOGP3) : 0.110 |
| Log Po/w (WLOGP) : -0.280 |
| Log Po/w (MLOGP) : -2.420 |
| Log Po/w (SILICOS-IT) : -1.360 |
| Consensus Log Po/w : -0.460 |