| Phytochemical Name : Alaternin |
| PCNDIDA0046 |
| Pubchem CID : 5748627 |
| Molecular formula: C34H42O19 |
| Canonical SMILES : CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCC3C(C(C(C(O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)O)O)O)O)C)O)O)O)O |
Synonymes : Catharticin|39723-40-5|Alaternin (glycoside)|Rhamnocitrin 3-O-beta-D-rhamninoside|3-(((2S,3R,4S,5R,6R)-6-((((2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one|4H-1-Benzopyran-4-one, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-beta-D-galactopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one|DTXSID50960327|C34H42O19|AKOS040761472|3-[[6-O-(3-O-alpha-L-Rhamnopyranosyl-alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]oxy]-4',5-dihydroxy-7-methoxyflavone|5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->6)hexopyranoside |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.080 |
| Log Po/w (XLOGP3) : -1.700 |
| Log Po/w (WLOGP) : -2.240 |
| Log Po/w (MLOGP) : -4.590 |
| Log Po/w (SILICOS-IT) : -2.590 |
| Consensus Log Po/w : -1.810 |

