AA-2betaG
PubChem CID: 54725703
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| Compound Synonyms | AA-2betaG, 562043-82-7, Ascorbic acid 2-glucoside, 2-(1,2-dihydroxyethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one, MFCD23701380, 2-o-a-d-glucopyranosyl-l-ascorbic acid, SCHEMBL15826946, SY056213 |
|---|---|
| Topological Polar Surface Area | 186.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,2-dihydroxyethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | -3.1 |
| Is Pains | False |
| Molecular Formula | C12H18O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLSJBGYKDYSOAE-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 5.0 |
| Compound Name | AA-2betaG |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.085 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 338.085 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 338.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3331570000000003 |
| Inchi | InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2 |
| Smiles | C(C1C(C(C(C(O1)OC2=C(C(OC2=O)C(CO)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients