Benzyladenine 7-O-beta-D-glucoside
PubChem CID: 157009930
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| Compound Synonyms | Benzyladenine 7-O-beta-D-glucoside |
|---|---|
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | MFMRRPHRZQYKIJ-XPDDWETNSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 6-Benzylamino-7-beta-D-glucopyranosylpurine, N6-Benzyladenine-7-glucoside |
| Heavy Atom Count | 28.0 |
| Compound Name | Benzyladenine 7-O-beta-D-glucoside |
| Description | Benzyladenine 7-o-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyladenine 7-o-beta-d-glucoside can be found in soy bean, which makes benzyladenine 7-o-beta-d-glucoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 387.154 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 387.154 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 387.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4S,5S,6R)-2-[6-(benzylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18?/m1/s1 |
| Smiles | C1=CC=C(C=C1)CNC2=NC=NC3=C2N(C=N3)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Xlogp | -0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H21N5O5 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all