| Phytochemical Name : Hydroxysafflor Yellow A |
| PCNDIDH0068 |
| Pubchem CID : 6443665 |
| Molecular formula: C27H32O16 |
| Canonical SMILES : C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O |
Synonymes : Hydroxysafflor Yellow A|Safflomin A|78281-02-4|HSYA|HI7O919OYZ|146087-19-6|(6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione|C27H32O16|2,5-Cyclohexadien-1-one, 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-|Hydroxy safflor yellow A|C27-H32-O16|UNII-HI7O919OYZ|SCHEMBL21315816|CHEBI:139030|DTXSID801031226|HY-N0567|s9061|AKOS037514823|CCG-270235|CCG-270236|CS-4544|LS-185836|W-201291|2,4-Di-b-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)-2,5-cyclohexadien-1-one|2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)]-2,5-cyclohexadien-1-one|2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-prop-2-en-1-yl)]cyclohexa-2,5-dien-1-one|2,5-CYCLOHEXADIEN-1-ONE, 2,4-DI-.BETA.-D-GLUCOPYRANOSYL-3,4,5-TRIHYDROXY-6-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-|2-Hydroxy-4-(€-3-(4-hydroxyphenyl)acryloyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy, AldrichCPR|855782-18-2 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.440 |
| Log Po/w (XLOGP3) : -3.460 |
| Log Po/w (WLOGP) : -4.510 |
| Log Po/w (MLOGP) : -5.930 |
| Log Po/w (SILICOS-IT) : -3.250 |
| Consensus Log Po/w : -3.340 |