3,8-Diglucopyranosyldiosmetin
PubChem CID: 74977721
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| Compound Synonyms | 3,8-Diglucosyldiosmetin, 3,8-Diglucopyranosyldiosmetin, 3,8-Diglucopyranosyl-3',5,7-trihydroxy-4'-methoxyflavone |
|---|---|
| Topological Polar Surface Area | 277.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 44.0 |
| Description | Isolated from peelings of Citrus sinensis (orange). Diosmetin 3,8-di-C-glucoside is found in sweet orange and citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1060.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00204, P22309, P0DMM9 |
| Iupac Name | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -2.3 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C28H32O16 |
| Inchi Key | OZSVEJJFZRCNON-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | 3,8-Di-C-glucopyranosyldiosmetin, 3,8-Diglucopyranosyl-3',5,7-trihydroxy-4'-methoxyflavone, 3,8-Diglucopyranosyldiosmetin, 3,8-Diglucosyldiosmetin, Diosmetin 3,8-di-C-glucoside |
| Substituent Name | Flavonoid-8-c-glycoside, Methoxyflavonoid skeleton, 4p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 3'-hydroxyflavonoid, Glycosyl compound, Chromone, C-glycosyl compound, 1-benzopyran, Methoxyphenol, Benzopyran, Methoxybenzene, Resorcinol, Phenol ether, Anisole, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Oxane, Monosaccharide, Saccharide, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Dialkyl ether, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 3,8-Diglucopyranosyldiosmetin |
| Kingdom | Organic compounds |
| Exact Mass | 624.169 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 624.169 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 624.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid 8-C-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all