| Phytochemical Name : Stachyose hydrate from Stachys tuberifera |
| PCNDIDS0150 |
| Pubchem CID : 24981346 |
| Molecular formula: C24H44O22 |
| Canonical SMILES : C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O.O |
Synonymes : Lupeose|Stachyose hydrate from Stachys tuberifera|stachyose hydrate|54261-98-2|10094-58-3|470-55-3|(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate|SMR000875265|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-, hydrate|MLS001333085|MLS001333086|CHEMBL1592729|HMS2236P03|MFCD00071593|AC-34785|Stachyose hydrate from Stachys tuberifera, 98%|Stachyose hydrate from Stachys tuberifera, >=98% |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.070 |
| Log Po/w (XLOGP3) : -8.460 |
| Log Po/w (WLOGP) : -9.810 |
| Log Po/w (MLOGP) : -8.730 |
| Log Po/w (SILICOS-IT) : -8.010 |
| Consensus Log Po/w : -6.790 |