Picroside II
[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate
Also Known As: Picroside II|Amphicoside|Picroside|PicrosideII|Picroside-II|6-Vanilloylcatalpol|Picroside 2|Vanilloyl catalpol|AMPHICOSIDE II|Picroside II [M+H]+|Picrosid II, HPLC Grade|EINECS 254-247-6|I07-0223|[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate|[2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.0^{2,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate|[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxy-benzoate|2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0,2,4]dec-7-en-5-yl 4-hydroxy-3-methoxybenzoate|beta-d-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha)]-|Picroside 2;Picroside-2;Picroside2;Picroside-II;PicrosideII;Picroside i inverted question mark A(2)
| Molecular Formula | C23H28O13 |
|---|---|
| Molecular Weight | 512.153 g/mol |
| LogP | -2.0114 |
| Topological Polar Surface Area | 197.13 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.153 |
| Monoisotopic Mass | 512.153 |
| Heavy Atoms | 36 |
| Complexity | 1013.72217 |
Chemical Identifiers
| CAS Number | 39012-20-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O |
Product Overview
Picroside II (CAS 39012-20-9), with molecular formula C23H28O13 and molecular weight 512.153 g/mol. IUPAC: [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate.