Gentiopicroside
(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
Also Known As: Gentiopicroside|Gentiopicrin|gentiopicorside|Gentiopicroside?|GENTIOPICRIN [MI]|MEGxp0_000872|POLYPROPYLENEGLYCOL4000|ACon1_001284|ERK5-4A22|Gentiopicroside, >=98% (HPLC)|EX-A6716|HY-N0494|EINECS 244-070-2|NP3905|s3777|ZB1867|GENTIOPICROSIDE (REFERENCE GRADE)|NCGC00180669-01
| Molecular Formula | C16H20O9 |
|---|---|
| Molecular Weight | 356.11072 g/mol |
| LogP | -1.67 |
| Topological Polar Surface Area | 134.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.11072 |
| Heavy Atoms | 25 |
| Complexity | 596.4 |
Chemical Identifiers
| CAS Number | 20831-76-9 |
|---|---|
| SMILES | C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
Product Overview
Gentiopicroside (CAS 20831-76-9), with molecular formula C16H20O9 and molecular weight 356.11072 g/mol. IUPAC: (3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one.
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