Apigenin-8-C-glucoside-2'-rhamnoside
PubChem CID: 5874704
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| Compound Synonyms | Vitexin-2''-O-rhamnoside, Vitexin 2-O-rhamnoside, Vitexin-2'-O-rhamnoside, Apigenin-8-C-glucoside-2'-rhamnoside, Vitexin-2-rhamnoside, vitexin-2 inverted exclamation marka-o-rhamnoside, vitexin 2\'\'-O-alpha-L-rhamnoside, (?)-N-Boc-N,O-isopropylidene-L-serinal, DB-050287, A914063, (S)-(?)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde |
|---|---|
| Topological Polar Surface Area | 236.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 41.0 |
| Description | Vitexin 2''-rhamnoside is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Vitexin 2''-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Vitexin 2''-rhamnoside can be found in oat and soy bean, which makes vitexin 2''-rhamnoside a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 954.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | -0.9 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Methoxybenzenes |
| Molecular Formula | C27H30O14 |
| Inchi Key | LYGPBZVKGHHTIE-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | solid |
| Synonyms | Vitexin 2''-a-L-rhamnopyranoside, Vitexin 2''-rhamnoside, Vitexin rhamnoside, Vitexin-2''-O-rhamnoside, 8-Glycosyl-apigenin-rhamnoside |
| Compound Name | Apigenin-8-C-glucoside-2'-rhamnoside |
| Kingdom | Organic compounds |
| Exact Mass | 578.164 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 578.164 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 578.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3 |
| Smiles | CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dimethoxybenzenes |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all