Angelicoidenol 2-O-beta-D-glucopyranoside
PubChem CID: 23757177
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| Compound Synonyms | MEGxp0_000384, ACon1_000807, NCGC00169340-01, Angelicoidenol 2-O-beta-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 23.0 |
| Description | Angelicoidenol 2-o-beta-d-glucopyranoside is a member of the class of compounds known as terpene glycosides. Terpene glycosides are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Angelicoidenol 2-o-beta-d-glucopyranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Angelicoidenol 2-o-beta-d-glucopyranoside can be found in ginger, which makes angelicoidenol 2-o-beta-d-glucopyranoside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[(5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | -0.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene glycosides |
| Molecular Formula | C16H28O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOHQEWBMTRLCSX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| Synonyms | Angelicoidenol 2-O-b-D-glucopyranoside, Angelicoidenol 2-O-β-D-glucopyranoside |
| Compound Name | Angelicoidenol 2-O-beta-D-glucopyranoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -1.5516366000000001 |
| Inchi | InChI=1S/C16H28O7/c1-15(2)7-4-10(16(15,3)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3 |
| Smiles | CC1(C2CC(C1(CC2O)C)OC3C(C(C(C(O3)CO)O)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Terpene glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Xanthioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all