baohuoside VI
3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Baohuoside VI|Epimedin C|Epmedin B|Epmedin C|3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|3,5,7-Trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranosyl(4-1)rhamnopyranosyl-rhamnopyranosyl(4-1)-glucopyranoside|4H-1-Benzopyran-4-one, 3-((6-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-|3,5,7-trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranosyl(4--1)rhamnopyranosyl-rhamnopyranosyl(4--1)-glucopyranoside|3-((3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one|3-{[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside|3-{[6-Deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside
| Molecular Formula | C39H50O19 |
|---|---|
| Molecular Weight | 822.2946 g/mol |
| LogP | -1.0803 |
| Topological Polar Surface Area | 297.12 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 822.2946 |
| Monoisotopic Mass | 822.2946 |
| Heavy Atoms | 58 |
| Complexity | 1978.0435 |
Chemical Identifiers
| CAS Number | 110642-44-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O |
Product Overview
baohuoside VI (CAS 110642-44-9), with molecular formula C39H50O19 and molecular weight 822.2946 g/mol. IUPAC: 3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
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