luteolin-7-O-gentiobiside
PubChem CID: 14032965
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| Compound Synonyms | luteolin-7-O-gentiobiside |
|---|---|
| Topological Polar Surface Area | 266.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 43.0 |
| Description | Luteolin 7-gentiobioside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Luteolin 7-gentiobioside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Luteolin 7-gentiobioside can be found in dandelion, which makes luteolin 7-gentiobioside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 996.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Nih Violation | True |
| Class | Steroids and steroid derivatives |
| Xlogp | -1.6 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | True |
| Subclass | Steroidal glycosides |
| Molecular Formula | C27H30O16 |
| Inchi Key | LDTDRTSKWGQBAA-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 3',4',5,7-Tetrahydroxyflavone, 7-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside], Glucoluteoloside, Luteolin 7-gentiobioside |
| Compound Name | luteolin-7-O-gentiobiside |
| Kingdom | Organic compounds |
| Exact Mass | 610.153 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 610.153 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 610.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-8-18-21(34)23(36)25(38)27(43-18)40-10-4-13(31)19-14(32)6-15(41-16(19)5-10)9-1-2-11(29)12(30)3-9/h1-6,17-18,20-31,33-38H,7-8H2 |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Steroidal glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all