cis-zeatin-7-N-glucoside
PubChem CID: 101928901
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| Compound Synonyms | cis-zeatin-7-N-glucoside, cis-zeatin-7-beta-glucoside, (Z)-zeatin-7-beta-glucoside, cis-zeatin-7-beta-D-glucoside, (Z)-zeatin-7-beta-D-glucoside, 7-(beta-D-glucosyl)-cis-zeatin, CHEBI:133211, 9-beta-D-glucopyranosyl-N-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-7H-purin-6-amine |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 526.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-7-yl]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -1.6 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C16H23N5O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTDHRCLVWUEXIS-MTQUCLQASA-N |
| Fcsp3 | 0.5625 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | (Z)-Zeatin-7-beta-D-glucoside, (Z)-Zeatin-7-beta-glucoside, (Z)-Zeatin-7-glucoside, 7-beta-D-Glucopyranosylzeatin, cis-Zeatin-7-beta-D-glucoside, cis-Zeatin-7-beta-glucoside, cis-Zeatin-7-glucoside, (Z)-Zeatin-7-b-D-glucoside, (Z)-Zeatin-7-β-D-glucoside, (Z)-Zeatin-7-b-glucoside, (Z)-Zeatin-7-β-glucoside, 7-b-D-Glucopyranosylzeatin, 7-Β-D-glucopyranosylzeatin, cis-Zeatin-7-b-D-glucoside, cis-Zeatin-7-β-D-glucoside, cis-Zeatin-7-b-glucoside, cis-Zeatin-7-β-glucoside, 7-(b-D-Glucosyl)-cis-zeatin, 7-(Β-D-glucosyl)-cis-zeatin, (2Z)-4-[(7-beta-D-Glucopyranosyl-7H-purin-6-yl)amino]-2-methyl-2-buten-1-ol, (2Z)-4-[(7-Β-D-glucopyranosyl-7H-purin-6-yl)amino]-2-methyl-2-buten-1-ol, cis-Zeatin 7-glucoside, cis-Zeatin-7-N-glucoside |
| Compound Name | cis-zeatin-7-N-glucoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 381.165 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 381.165 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 381.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -1.0409784666666677 |
| Inchi | InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16-/m1/s1 |
| Smiles | C/C(=C/CNC1=NC=NC2=C1N(C=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Glycosylamines |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients