Isorhamnetin 3-glucoside 4'-rhamnoside
PubChem CID: 74978259
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| Compound Synonyms | Isorhamnetin 3-glucoside 4'-rhamnoside, CHEBI:191721, 5,7-dihydroxy-2-[3-methoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 255.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 44.0 |
| Description | Isolated from Reseda gredensis [CCD]. Isorhamnetin 3-glucoside 4'-rhamnoside is found in parsnip. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-[3-methoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -0.6 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C28H32O16 |
| Inchi Key | GVBDKXQDCPGLFU-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | Isorhamnetin 3-glucoside 4'-rhamnoside |
| Substituent Name | Flavonoid-3-o-glycoside, Methoxyflavonoid skeleton, 3p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, Fatty acyl glycoside of mono- or disaccharide, Fatty acyl glycoside, 7-hydroxyflavonoid, 5-hydroxyflavonoid, Alkyl glycoside, O-glycosyl compound, Glycosyl compound, Chromone, 1-benzopyran, Benzopyran, Methoxybenzene, Resorcinol, Phenol ether, Anisole, Pyranone, Alkyl aryl ether, Fatty acyl, Benzenoid, Pyran, Oxane, Monosaccharide, Saccharide, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Isorhamnetin 3-glucoside 4'-rhamnoside |
| 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/c1-9-18(32)21(35)23(37)27(40-9)42-13-4-3-10(5-14(13)39-2)25-26(20(34)17-12(31)6-11(30)7-15(17)41-25)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 |
| Smiles | CC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-3-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all