Vitexin 7-rutinoside
PubChem CID: 74977494
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| Compound Synonyms | Vitexin 7-rutinoside |
|---|---|
| Topological Polar Surface Area | 315.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Inchi Key | HGBXMQQIDYBMQP-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | Vitexin 7-rutinoside, Vitexin, 7-O-[a-L-Rhamnopyranosyl-(1->6)-b-D-glucopyranoside] |
| Heavy Atom Count | 52.0 |
| Compound Name | Vitexin 7-rutinoside |
| Description | Vitexin 7-rutinoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Vitexin 7-rutinoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Vitexin 7-rutinoside can be found in barley, which makes vitexin 7-rutinoside a potential biomarker for the consumption of this food product. |
| Exact Mass | 740.216 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 740.216 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1250.0 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 740.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H40O19/c1-10-21(38)24(41)28(45)32(48-10)47-9-18-23(40)26(43)29(46)33(52-18)51-16-7-14(37)19-13(36)6-15(11-2-4-12(35)5-3-11)49-30(19)20(16)31-27(44)25(42)22(39)17(8-34)50-31/h2-7,10,17-18,21-29,31-35,37-46H,8-9H2,1H3 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C4=C(C(=C3)O)C(=O)C=C(O4)C5=CC=C(C=C5)O)C6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O |
| Xlogp | -3.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C33H40O19 |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all