2-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromene-4,5,7-triol
PubChem CID: 78178070
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| Compound Synonyms | AKOS040752675 |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 31.0 |
| Description | Constituent of the fruit of Eriobotrya japonica (loquat). Loquatoside is found in loquat and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 608.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromene-4,5,7-triol |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | -1.2 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C20H22O11 |
| Inchi Key | YISJRMFABYGQSX-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | Loquatoside |
| Substituent Name | Flavonoid-3-o-glycoside, Catechin, Leucoanthocyanidin-skeleton, Hydroxyflavonoid, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 4-hydroxyflavonoid, 4'-hydroxyflavonoid, 3'-hydroxyflavonoid, Flavan, O-glycosyl compound, Glycosyl compound, 1-benzopyran, Benzopyran, Chromane, Resorcinol, 1,2-diphenol, Phenol, Alkyl aryl ether, Benzenoid, Oxane, Monosaccharide, Saccharide, Monocyclic benzene moiety, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 2-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromene-4,5,7-triol |
| Kingdom | Organic compounds |
| Exact Mass | 438.116 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 438.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 438.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C20H22O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15-28H,6H2 |
| Smiles | C1C(C(C(C(O1)OC2C(C3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 7-O-methylated flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all