| Phytochemical Name : Catechin pentaacetate |
| PCNDIDC0076 |
| Pubchem CID : 5315742 |
| Molecular formula: C25H24O11 |
| Canonical SMILES : CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C |
Synonymes : Catechin pentaacetate|16198-01-9|(+)-Catechin-pentaacetate|CatechinPentaacetate|[(2R,3S)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate|Catechol, pentaacetate, (+)-|Catechol pentaacetate|Spectrum_001742|(+)-Catechin pentaacetate; Catechin pentaacetate|SpecPlus_000341|Spectrum2_001767|Spectrum3_001723|Spectrum4_001904|Spectrum5_000588|BSPBio_003366|KBioGR_002494|KBioSS_002222|DivK1c_006437|SCHEMBL719419|SPECTRUM1600537|SPBio_001633|CHEMBL3039154|KBio1_001381|KBio2_002222|KBio2_004790|KBio2_007358|KBio3_002586|CCG-38817|AKOS027288977|NCGC00178114-01 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.950 |
| Log Po/w (XLOGP3) : 2.420 |
| Log Po/w (WLOGP) : 2.670 |
| Log Po/w (MLOGP) : 2.290 |
| Log Po/w (SILICOS-IT) : 3.430 |
| Consensus Log Po/w : 2.950 |