| Phytochemical Name : Safflor Yellow A |
| PCNDIDS0002 |
| Pubchem CID : 6448299 |
| Molecular formula: C27H30O15 |
| Canonical SMILES : C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(C4C(C(C(C(O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O |
Synonymes : Safflor Yellow A|BRN 4635179|3,4,6,9-tetrahydroxy-2-(hydroxymethyl)-8-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b][1]benzofuran-7-one|9H-Pyrano(3,2-b)benzofuran-9-one, 2,3,4,4a,6,9b-hexahydro-6-beta-D-glucopyranosyl-2-(hydroxymethyl)-8-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-3,4,6,7-tetrahydroxy-|SafflorYellowA|HY-N7274|LS-127330|CS-0111149 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.930 |
| Log Po/w (XLOGP3) : -3.150 |
| Log Po/w (WLOGP) : -4.030 |
| Log Po/w (MLOGP) : -5.200 |
| Log Po/w (SILICOS-IT) : -2.560 |
| Consensus Log Po/w : -2.800 |