| Phytochemical Name : 7-[(2-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavanone |
| PCNDIDOT1014 |
| Pubchem CID : 17751030 |
| Molecular formula: C28H34O15 |
| Canonical SMILES : CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O |
Synonymes : Neohesperidin|7-[(2-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavanone|SCHEMBL121674|Q-100127|7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : -0.470 |
| Log Po/w (WLOGP) : -1.480 |
| Log Po/w (MLOGP) : -3.040 |
| Log Po/w (SILICOS-IT) : -1.550 |
| Consensus Log Po/w : -0.740 |