Solaradixine
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(5'R,6R,7S,9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Solaradixine|beta-D-Galactopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-|4(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-2-propyl-
| Molecular Formula | C51H83NO21 |
|---|---|
| Molecular Weight | 1045.5458 g/mol |
| LogP | -2.3887 |
| Topological Polar Surface Area | 337.86 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1045.5458 |
| Monoisotopic Mass | 1045.5458 |
| Heavy Atoms | 73 |
| Complexity | 1929.0299 |
Chemical Identifiers
| CAS Number | 28512-69-8 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)NC1 |
Product Overview
Solaradixine (CAS 28512-69-8), with molecular formula C51H83NO21 and molecular weight 1045.5458 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(5'R,6R,7S,9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.