Orientin 7-rhamnoside
PubChem CID: 74977589
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| Compound Synonyms | Orientin 7-rhamnoside, 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 256.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 42.0 |
| Description | Isolated from Linum usitatissimum. Orientin 7-rhamnoside is found in tea, flaxseed, and coffee and coffee products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 995.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -1.5 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C27H30O15 |
| Inchi Key | WNHQLQDLHBPVNM-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Orientin 7-O-a-L-rhamnopyranoside, Orientin 7-O-a-L-rhamnoside, Orientin 7-O-rhamnoside, Orientin 7-rhamnoside |
| Substituent Name | Flavonoid-7-o-glycoside, Flavonoid-8-c-glycoside, Flavonoid c-glycoside, Hydroxyflavonoid, Flavone, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, 3'-hydroxyflavonoid, O-glycosyl compound, Glycosyl compound, Chromone, C-glycosyl compound, 1-benzopyran, Benzopyran, 1,2-diphenol, Pyranone, Phenol, Benzenoid, Pyran, Oxane, Monosaccharide, Saccharide, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Dialkyl ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Orientin 7-rhamnoside |
| Kingdom | Organic compounds |
| Exact Mass | 594.158 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 594.158 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 594.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H30O15/c1-8-19(33)21(35)24(38)27(39-8)42-15-6-13(32)17-12(31)5-14(9-2-3-10(29)11(30)4-9)40-25(17)18(15)26-23(37)22(36)20(34)16(7-28)41-26/h2-6,8,16,19-24,26-30,32-38H,7H2,1H3 |
| Smiles | CC1C(C(C(C(O1)OC2=C(C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all