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Apigenin 7-(6''-O-alpha-rhamnosyl-beta-glucoside)

PubChem CID: 157009904

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Compound Synonyms Apigenin 7-(6''-O-alpha-rhamnosyl-beta-glucoside)
Topological Polar Surface Area 225.0
Hydrogen Bond Donor Count 8.0
Inchi Key FKIYLTVJPDLUDL-PYXJVEIZSA-N
Rotatable Bond Count 6.0
Synonyms APIGENIN-7-(6-O-ALPHA-RHAMNOSYL-BETA-GLUCOSIDE)
Heavy Atom Count 41.0
Compound Name Apigenin 7-(6''-O-alpha-rhamnosyl-beta-glucoside)
Description Apigenin 7-(6''-o-alpha-rhamnosyl-beta-glucoside) 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. Apigenin 7-(6''-o-alpha-rhamnosyl-beta-glucoside) is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-(6''-o-alpha-rhamnosyl-beta-glucoside) can be found in lemon, which makes apigenin 7-(6''-o-alpha-rhamnosyl-beta-glucoside) a potential biomarker for the consumption of this food product.
Exact Mass 578.164
Formal Charge 0.0
Monoisotopic Mass 578.164
Isotope Atom Count 0.0
Molecular Complexity 939.0
Hydrogen Bond Acceptor Count 14.0
Molecular Weight 578.5
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 10.0
Iupac Name 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Xlogp -0.8
Defined Bond Stereocenter Count 0.0
Molecular Formula C27H30O14

  • 1. Outgoing r'ship FOUND_IN to/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all
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