| Phytochemical Name : Corilagin |
| PCNDIDC0243 |
| Pubchem CID : 73568 |
| Molecular formula: C27H22O18 |
| Canonical SMILES : C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O |
Synonymes : Corilagin|23094-69-1|CHEBI:3884|CHEMBL449392|[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate|Corillagin|C27-H22-O18|Corilagin,(S)|MFCD00238565|Corilagin, analytical standard|SCHEMBL329080|DTXSID301104707|GLXC-20959|BDBM50242279|s9090|AKOS015896840|CCG-270295|NP-004255|Q909822|Q-100295|(beta-1-O-galloyl-3,6-(R)-hexahydroxydiphenoyl-d-glucose)|1-O-Galloyl-3,6-hexahydroxydiphenol-bet.-D-Glucopyranose|1-O-galloyl-3,6-hexahydroxydiphenic acid-beta-D-glucopyranose|(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate|.beta.-D-Glucopyranose, cyclic 3,6-[(1R)-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)|2088321-44-0|3-O,6-O-[carbonyl(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)carbonyl]-1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose|6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4(9),5,7,10(15),11,13-hexaene|6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene|beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate) |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.030 |
| Log Po/w (XLOGP3) : 0.070 |
| Log Po/w (WLOGP) : -0.300 |
| Log Po/w (MLOGP) : -2.420 |
| Log Po/w (SILICOS-IT) : -2.150 |
| Consensus Log Po/w : -0.550 |

