2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)phenoxy]oxane-3,4,5-triol
PubChem CID: 131751375
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| Topological Polar Surface Area | 128.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | PVXWBKJKWJZGQJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Semilepidinoside A |
| Heavy Atom Count | 24.0 |
| Compound Name | 2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)phenoxy]oxane-3,4,5-triol |
| Description | Alkaloid from the seeds of Lepidium sativum (garden cress). Semilepidinoside A is found in garden cress and brassicas. |
| Exact Mass | 336.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.132 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 336.34 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)phenoxy]oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H20N2O6/c19-8-11-13(20)14(21)15(22)16(24-11)23-10-3-1-9(2-4-10)7-12-17-5-6-18-12/h1-6,11,13-16,19-22H,7-8H2,(H,17,18) |
| Smiles | C1=CC(=CC=C1CC2=NC=CN2)OC3C(C(C(C(O3)CO)O)O)O |
| Xlogp | 0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H20N2O6 |
- 1. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all