Delphinidin 3-rhamnoside
PubChem CID: 75244063
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| Compound Synonyms | Delphinidin 3-rhamnoside |
|---|---|
| Topological Polar Surface Area | 181.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 32.0 |
| Description | Delphinidin 3-rhamnoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Delphinidin 3-rhamnoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delphinidin 3-rhamnoside can be found in blackcurrant, which makes delphinidin 3-rhamnoside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 625.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Nih Violation | True |
| Class | Flavonoids |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C21H21O11+ |
| Inchi Key | JDZRKJMABULBJY-UHFFFAOYSA-O |
| Rotatable Bond Count | 3.0 |
| Synonyms | Delphinidin 3-O-a-L-rhamnopyranoside, Delphinidin 3-rhamnoside |
| Compound Name | Delphinidin 3-rhamnoside |
| Kingdom | Organic compounds |
| Exact Mass | 449.108 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 449.108 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 449.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C21H20O11/c1-7-16(26)18(28)19(29)21(30-7)32-15-6-10-11(23)4-9(22)5-14(10)31-20(15)8-2-12(24)17(27)13(25)3-8/h2-7,16,18-19,21,26,28-29H,1H3,(H4-,22,23,24,25,27)/p+1 |
| Smiles | CC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Anthocyanidin-3-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all