dihydrozeatin-7-N-glucose
PubChem CID: 25201421
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| Compound Synonyms | dihydrozeatin-7-N-glucose, cis-zeatin-7-alpha-glucoside, (Z)-zeatin-7-alpha-glucoside, cis-zeatin-7-alpha-D-glucoside, (Z)-zeatin-7-alpha-D-glucoside, CHEBI:133475, 7-(alpha-D-glucosyl)dihydrozeatin, 7-alpha-D-glucopyranosyl-N-(4-hydroxy-3-methylbutyl)-7H-purin-6-amine, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbutyl)amino]purin-7-yl]oxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbutyl)amino]purin-7-yl]oxane-3,4,5-triol |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -1.4 |
| Is Pains | False |
| Molecular Formula | C16H25N5O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WSELIHNWDGFXRQ-CLORPHGJSA-N |
| Fcsp3 | 0.6875 |
| Rotatable Bond Count | 7.0 |
| Compound Name | dihydrozeatin-7-N-glucose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 383.18 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 383.18 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 383.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1260776666666674 |
| Inchi | InChI=1S/C16H25N5O6/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/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16+/m1/s1 |
| Smiles | CC(CCNC1=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 | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients