Lucuminoside
PubChem CID: 4475723
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| Compound Synonyms | Lucuminoside, (R)-Lucumin, SCHEMBL5568770, CHEBI:176069, 2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile |
|---|---|
| Topological Polar Surface Area | 182.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 30.0 |
| Description | Isolated from marmalade plum (Lucuma mammosa) seeds. Lucuminoside is found in fruits and mamey sapote. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.6 |
| Superclass | Organooxygen compounds |
| Subclass | Glycosyl compounds |
| Molecular Formula | C19H25NO10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYYCJNDALLBNEG-UHFFFAOYSA-N |
| Fcsp3 | 0.631578947368421 |
| Logs | -0.869 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Logd | 0.095 |
| Synonyms | Lucumin, Lucumine, Lucuminoside, Vicianin, 5a,6-dihydro-1,3,8-Trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-BC]xanthen-7-one, 6-O-Arabinopyranosylglucopyranoside, Mandelonitrile beta-vicianoside, 6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranoside |
| Substituent Name | TissueLocation, Intestine, HMDB |
| Compound Name | Lucuminoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 427.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 427.148 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 427.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -0.572417200000001 |
| Inchi | InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2 |
| Smiles | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)O)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cyanogenic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Barleria Lupulina (Plant) Rel Props:Source_db:cmaup_ingredients