Tiqueside
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(4S,5'R,6R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Tiqueside|Tigogenyl beta-maltoside|beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 4-O-alpha-D-glucopyranosyl-|B-D-GLUCOPYRANOSIDE, (3B,5A,25R)-SPIROSTAN-3-YL 4-O-A-D-GLUCOPYRANOSYL- (9CI)
| Molecular Formula | C39H64O13 |
|---|---|
| Molecular Weight | 740.4347 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 740.4347 |
| Monoisotopic Mass | 740.4347 |
| Heavy Atoms | 52 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 68331-86-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | GUSVHVVOABZHAH-KIHSSYRVSA-N |
Product Overview
Tiqueside (CAS 68331-86-2), with molecular formula C39H64O13 and molecular weight 740.4347 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(4S,5'R,6R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
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