| Phytochemical Name : Haemocorin |
| PCNDIDH0001 |
| Pubchem CID : 165899 |
| Molecular formula: C32H34O14 |
| Canonical SMILES : COC1=C(C2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)O |
Synonymes : Haemocorin|Hemocorin|11034-94-9|2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-5-methoxy-9-phenylphenalen-1-one|1H-Phenalen-1-one, 2-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-6-hydroxy-5-methoxy-9-phenyl-|1H-Phenalen-1-one, 6-((4-O-beta-D-glucopyranosyl-D-glucopyranosyl)oxy)-2-hydroxy-5-methoxy-9-phenyl-|AC1L4XIO|AC1Q6P6W|CHEBI:5602|DTXSID70149218|C32H34O14|C32-H34-O14|C09932|Q27106820|2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-hydroxy-5-methoxy-9-phenyl-phenalen-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.410 |
| Log Po/w (XLOGP3) : 0.330 |
| Log Po/w (WLOGP) : -0.710 |
| Log Po/w (MLOGP) : -2.600 |
| Log Po/w (SILICOS-IT) : -0.270 |
| Consensus Log Po/w : -0.370 |