Chacotriose
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Chacotriose|Chacotrioside|GlyTouCan:G31882OX|G31882OX|alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-D-glucose|6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-D-glucose|(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|6-deoxy-alpha-L-mannopyranosyl-(1->2)-(6-deoxy-alpha-L-mannopyranosyl-(1->4))-D-glucose;alpha-L-rhamnopyranosyl-(1->2)-(alpha-L-rhamnopyranosyl-(1->4))-D-glucose|D-Glucose, O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-
| Molecular Formula | C18H32O14 |
|---|---|
| Molecular Weight | 472.1792 g/mol |
| LogP | -5.5178 |
| Topological Polar Surface Area | 228.22 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.1792 |
| Monoisotopic Mass | 472.1792 |
| Heavy Atoms | 32 |
| Complexity | 610.22577 |
Chemical Identifiers
| CAS Number | 550-72-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O)CO)O)O)O |
Product Overview
Chacotriose (CAS 550-72-1), with molecular formula C18H32O14 and molecular weight 472.1792 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.