2-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]acetonitrile
PubChem CID: 73157716
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| Compound Synonyms | Cappariloside B |
|---|---|
| Topological Polar Surface Area | 218.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | YWQNATCXFBWYHU-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | Cappariloside B |
| Heavy Atom Count | 35.0 |
| Compound Name | 2-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]acetonitrile |
| Description | Constituent of the fruit of Capparis spinosa (caper). Cappariloside B is found in capers and herbs and spices. |
| Exact Mass | 496.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 496.169 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 752.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 496.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]acetonitrile |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H28N2O11/c23-5-4-9-6-24-10-2-1-3-11(14(9)10)33-22-20(31)18(29)16(27)13(35-22)8-32-21-19(30)17(28)15(26)12(7-25)34-21/h1-3,6,12-13,15-22,24-31H,4,7-8H2 |
| Smiles | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(=CN2)CC#N |
| Xlogp | -2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H28N2O11 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Source_db:fooddb_chem_all