| Phytochemical Name : Frangulin B |
| PCNDIDF0046 |
| Pubchem CID : 442744 |
| Molecular formula: C20H18O9 |
| Canonical SMILES : CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC4C(C(CO4)(CO)O)O |
Synonymes : Frangulin B|14101-04-3|CHEMBL496999|UNII-8CIK094KBU|8CIK094KBU|CHEBI:5168|C10349|EINECS 237-953-9|3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione|6-O-(D-Apiofuranosyl)-1,6,8-trihydroxy-3-methylanthraquinone|3-(D-Apio-beta-D-furanosyloxy)-1,8-dihydroxy-6-methylanthraquinone|AC1L9DBZ|FRANGULINB|FRANGULIN B [MI]|SureCN1426453|SCHEMBL1426453|Frangulin B, analytical standard|DTXSID80930972|CHEBI:601858|BDBM50269014|MFCD00016362|AKOS015914181|A807715|Q27106674|9,10-Anthracenedione,3-(D-apio-b-D-furanosyloxy)-1,8-dihydroxy-6-methyl-|9,10-ANTHRACENEDIONE, 3-(D-APIO-.BETA.-D-FURANOSYLOXY)-1,8-DIHYDROXY-6-METHYL-|3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione|3-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione|3-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-1,8-dihydroxy-6-methylanthracene-9,10-dione|3-{[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1,8-dihydroxy-6-methylanthracene-9,10-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.740 |
| Log Po/w (XLOGP3) : 1.280 |
| Log Po/w (WLOGP) : 0.000 |
| Log Po/w (MLOGP) : -1.220 |
| Log Po/w (SILICOS-IT) : 1.490 |
| Consensus Log Po/w : 0.660 |