| Phytochemical Name : Spinosin |
| PCNDIDS0143 |
| Pubchem CID : 155692 |
| Molecular formula: C28H32O15 |
| Canonical SMILES : COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O |
Synonymes : Spinosin|72063-39-9|flavoayamenin|6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one|6-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one|2''-O-glycosylswertisin|SCHEMBL2980651|CHEBI:81360|DTXSID50222396|HMS3886F18|HY-N0651|MFCD09754430|s9134|AKOS015897169|CCG-270216|AC-31296|BS-17968|LS-193896|CS-0009676|P2887|C17834|A866326|Q-100793|Q27155298|(1S)-1,5-anhydro-2-O-beta-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol|4H-1-Benzopyran-4-one, 6-(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|6-((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.050 |
| Log Po/w (XLOGP3) : -1.060 |
| Log Po/w (WLOGP) : -2.110 |
| Log Po/w (MLOGP) : -3.900 |
| Log Po/w (SILICOS-IT) : -1.230 |
| Consensus Log Po/w : -1.250 |