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Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside

PubChem CID: 44258984

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Compound Synonyms Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside, LMPK12111914
Topological Polar Surface Area 304.0
Hydrogen Bond Donor Count 11.0
Inchi Key UYVBMGULWGRDQT-XRCHGPKSSA-N
Rotatable Bond Count 8.0
Heavy Atom Count 52.0
Compound Name Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside
Description Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Thus, kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside is considered to be a flavonoid lipid molecule. Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside can be found in tea, which makes kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside 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 1260.0
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 9.0
Iupac Name 3-[(2S,4S,5S)-6-[[(2R,3S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Total Atom Stereocenter Count 15.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3/t10?,11?,17?,19-,20-,21+,23?,24-,25-,26?,27-,29?,31+,32-,33-/m0/s1
Smiles CC1[C@@H](C([C@@H]([C@@H](O1)OC2[C@@H]([C@@H](OC([C@@H]2O)C)OCC3[C@H]([C@@H](C([C@@H](O3)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O)O
Xlogp -2.0
Defined Bond Stereocenter Count 0.0
Molecular Formula C33H40O19

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