chempirical

Kaempferol 7-O-glucoside

C21H20O11CAS 16290-07-6448.38 g/mol

Open in Covalent MOL file
OOHOHOOOHOHOOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C21H20O11
Molar mass
448.38 g/mol
Exact mass
448.1006 Da
Melting point
228–230 °C (decomposes)
logP
-0.24Crippen estimate
Polar surface area
190.3 Ų
H-bond donors / acceptors
7 / 11
Rotatable bonds
4
Stereocentres
S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
16290-07-6
SMILES
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIKey
YPWHZCPMOQGCDQ-HMGRVEAOSA-N
InChI
InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-
  • Populnin
  • 7-(β-D-Glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Kaempferol 7-glucoside
  • Glucosyl-7-kaempferol
  • Kaempferol 7-monoglucoside
  • Kaempferol 7-β-D-glucopyranoside
  • Kaempferol 7-β-glucopyranoside
  • Kaempferol 7-O-β-D-glucoside
  • Kaempferol 7-O-β-D-glucopyranoside
  • Kaempferol 7-O-β-glucopyranoside
  • 7-(β-Glucopyranosyloxy)kaempferol

Work with Kaempferol 7-O-glucoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Quercetin 7-O-glucoside491-50-985 % similar Genistin529-59-971 % similar Juglanin5041-67-871 % similar Apigetrin578-74-570 % similar Grosvenorine156980-60-869 % similar Kaempferol 3-O-sophoroside 7-O-rhamnoside93098-79-469 % similar Complanatuside116183-66-569 % similar Quercetagitrin548-75-467 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Galuteolin20344-46-1 Quercetin 7-O-rhamnoside22007-72-3 Orientin28608-75-5 Isoorientin4261-42-1 Astragalin480-10-4 Quercitrin522-12-3 Cynaroside5373-11-5 Luteolin 4′-O-glucoside6920-38-3

Elsewhere

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