Tyrosine glucoside
PubChem CID: 193760
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| Compound Synonyms | beta-D-Glucopyranosyl-O-L-tyrosine, Tyrosine glucoside, 38292-17-0, L-Tyrosine, O-beta-D-glucopyranosyl-, (2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid, O-beta-D-Glucopyranosyl-L-tyrosine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 163.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC[C@H]O[C@@H]Occcccc6))C[C@@H]C=O)O))N))))))))[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCC(OC2CCCCO2)CC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H21NO8 |
| Scaffold Graph Node Bond Level | c1ccc(OC2CCCCO2)cc1 |
| Inchi Key | JZAFZYMRELRTKL-MYMCGMNMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | o-(beta-d-glucopyranosyl)-l-tyrosine, tyrosine glucoside |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CO, cO[C@@H](C)OC |
| Compound Name | Tyrosine glucoside |
| Exact Mass | 343.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 343.127 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 343.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H21NO8/c16-9(14(21)22)5-7-1-3-8(4-2-7)23-15-13(20)12(19)11(18)10(6-17)24-15/h1-4,9-13,15,17-20H,5-6,16H2,(H,21,22)/t9-,10+,11+,12-,13+,15+/m0/s1 |
| Smiles | C1=CC(=CC=C1C[C@@H](C(=O)O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
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