GlyTouCan:G38552AW
(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,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
Also Known As: Stachyose|GlyTouCan:G38552AW|G38552AW|EINECS 207-427-3|GAL(.ALPHA.1->6)GAL(.ALPHA.1->6)GLC(.ALPHA.1->2.BETA.)FRU|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,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|.ALPHA.-D-GLUCOPYRANOSIDE, .BETA.-D-FRUCTOFURANOSYL O-.ALPHA.-D-GALACTOPYRANOSYL-(1->6)-O-.ALPHA.-D-GALACTOPYRANOSYL-(1->6)-|A-d-fructofuranosyl|A-d-glucopyranosyl-(1->6)-|A-d-galactopyranosyl-(1->6)-|A-d-galactopyranoside|alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->6)-|alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1.fwdarw.6)-O-alpha-D-galactopyranosyl-(1.fwdarw.6)-|beta-D-Fructofuranosyl alpha-D-glucopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranoside|beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha- D-galactopyranoside
| Molecular Formula | C24H42O21 |
|---|---|
| Molecular Weight | 666.22186 g/mol |
| LogP | -9.75 |
| Topological Polar Surface Area | 347.83 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 666.22186 |
| Heavy Atoms | 45 |
| Complexity | 931.3 |
Chemical Identifiers
| CAS Number | 470-55-3 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O |
Product Overview
GlyTouCan:G38552AW (CAS 470-55-3), with molecular formula C24H42O21 and molecular weight 666.22186 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,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.
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