1,5-Anhydro-D-glucitol
PubChem CID: 64960
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| Compound Synonyms | 1,5-Anhydro-D-glucitol, 154-58-5, 1,5-Anhydroglucitol, 1,5-Anhydro-D-sorbitol, 1,5-ANHYDROSORBITOL, Aceritol, 1-Deoxy-D-glucopyranose, 1-Deoxy-D-glucose, Glucitol, 1,5-anhydro-, D-Glucitol, 1,5-anhydro-, (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol, (2R,3S,4R,5S)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 1,5-Anhydro-glucitol, Y79RBL5ZLQ, 54BB3B7XMZ, CHEMBL344637, CHEBI:16070, 40026-07-1, 1,5-sorbitan, ASO, D-glucose, 1-deoxy-, UNII-54BB3B7XMZ, 1,5-anydroglucitol, EINECS 205-829-3, 1,5-AG, UNII-Y79RBL5ZLQ, 1-Deoxy-D-glucopyranoside, SCHEMBL114051, DTXSID10893389, DTXSID60893379, D-GLUCITOL,1,5-ANHYDRO-, BDBM50279834, AKOS027427035, GLUCITOL, 1,5-ANHYDRO-, D-, MA06651, PD102027, PS-11742, 1-deoxy-1,5-anhydro-D-GlucoseD-Glucitol, HY-113075, CS-0059497, NS00014697, C07326, Q4545703, 61792-91-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OC[C@H]OC[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Description | 1,5-Anhydrosorbitol or 1,5-anhydroglucitol (1,5-AG) is a validated marker of short-term glycemic control. This substance is derived mainly from food, is well absorbed in the intestine, and is distributed to all organs and tissues. It is metabolically stable, being excreted in the urine when its level exceeds the renal threshold. It is reabsorbed in the renal tubules, and is competitively inhibited by glucosuria, which leads to a reduction in its level in serum. The correlation between this reduction and the amount of glucose present in urine is so close that 1,5 AG can be used as a sensitive, day-to-day, real-time marker of glycemic control. It provides useful information on current glycemic control and is superior to both hemoglobin A1C and fructosamine in detecting near-normoglycemia. 1,5-AG in human plasma has been proposed for several years as a short-term, retrospective marker of glycaemic control and seems to be the most suitable parameter for monitoring glucose excursions. The decrease in serum 1,5-AG is very sensitive to urinary glucose excretion. It is a metabolically inert polyol that competes with glucose for reabsorption in the kidneys. Otherwise stable levels of 1,5-AG are rapidly depleted as blood glucose levels exceed the renal threshold for glucosuria. 1,5-AG is also more tightly associated with glucose fluctuations and postprandial glucose. (PMID: 18088226, 12166605, 7783360, 8940824) [HMDB] |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | Q96JD6, Q43014, Q8VNN2 |
| Iupac Name | (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.1 |
| Superclass | Organooxygen compounds |
| Subclass | Monosaccharides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O5 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPCAJMNYNOGXPB-SLPGGIOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.012 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -1.87 |
| Synonyms | 1,5-AG, 1,5-anhydro-D-glucitol, 1,5-Anhydro-D-sorbitol, 1,5-Anhydroglucitol, 1,5-anhydro-D-Glucitol, 1-Deoxyglucose, 1,5-ANHYDROSORBITOL, Aceritol, Polygalitol, 1-Deoxy-D-glucose, 1,5-Sorbitan, 1-Deoxy-D-glucopyranose, d-1,5-anhydroglucitol |
| Substituent Name | Oxane, Monosaccharide, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Dialkyl ether, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC |
| Compound Name | 1,5-Anhydro-D-glucitol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 164.16 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 0.8273265999999999 |
| Inchi | InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 |
| Smiles | C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Monosaccharides |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Delphinium Vestitum (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glaucium Flavum (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Heracleum Candicans (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pogostemon Parviflorus (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Polygala Arillata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Polygala Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 10. Outgoing r'ship
FOUND_INto/from Sesbania Bispinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all