| Phytochemical Name : Robinin |
| PCNDIDR0034 |
| Pubchem CID : 5281693 |
| Molecular formula: C33H40O19 |
| Canonical SMILES : CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O |
Synonymes : Robinin|301-19-9|Kaempferol-3-O-gal-rham-7-O-rham|EINECS 206-113-3|NSC 9222|UNII-75RT1VGM60|Kaempferol-3-O-robinoside-7-O-rhamnoside|75RT1VGM60|3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one|NSC-9222|3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|SpecPlus_000819|ROBININ [MI]|DivK1c_006915|SCHEMBL241939|CHEBI:8878|MEGxp0_001943|KBio1_001859|GLXC-14189|Robinin, >=90.0% (HPLC)|HY-N1346|C33H40O19|kaempferol 3-robinoside 7-rhamnoside|AKOS032948817|5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one|AC-36973|kaempherol-3-O-robinoside-7-O-rhamnoside|LS-39512|MS-31289|CS-0016754|Q7352943|Kaempferol 3-O-beta-robinoside 7-O-alpha-L-rhamnopyranoside|4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-galactopyranosyl)oxy)-7-((6-deoxy-.alpha.-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl|4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GALACTOPYRANOSYL)OXY)-7-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-|7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside|KAEMPFEROL 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GALACTOPYRANOSYL 7-O-.ALPHA.-L-RHAMNOPYRANOSIDE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.990 |
| Log Po/w (XLOGP3) : -1.280 |
| Log Po/w (WLOGP) : -2.890 |
| Log Po/w (MLOGP) : -4.770 |
| Log Po/w (SILICOS-IT) : -3.150 |
| Consensus Log Po/w : -1.820 |