chempirical

Juglanin

C20H18O10CAS 5041-67-8418.35 g/mol

Open in Covalent MOL file
OOOOHOHOHOHOHOOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C20H18O10
Molar mass
418.35 g/mol
Exact mass
418.0900 Da
Melting point
224–225 °C
logP
0.39Crippen estimate
Polar surface area
170.1 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
4
Stereocentres
S, S, R, Rin SMILES atom order

Identifiers

CAS number
5041-67-8
SMILES
O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
InChIKey
POQICXMTUPVZMX-UXYNSRGZSA-N
InChI
InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2/t13-,15-,17+,20-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • Kaempferol 3-O-arabinoside
  • 4H-1-Benzopyran-4-one, 3-(α-L-arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Flavone, 3,4′,5,7-tetrahydroxy-, 3-α-L-arabinofuranoside
  • Arabinofuranoside, kaempferol-3, α-L-
  • Arabinofuranoside, 5,7-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl, α-L-
  • 3-(α-L-Arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 5,7,4′-Trihydroxyflavone 3-α-L-arabinofuranoside
  • Euglanin
  • Juglanin (juglans)
  • Kaempferol 3-arabinoside
  • Kaempferol 3-O-α-L-arabinofuranoside

Work with Juglanin

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

Astragalin480-10-498 % similar Kaempferol 3-O-gentiobioside22149-35-589 % similar Kaempferol 3-O-sophoroside19895-95-587 % similar Avicularin572-30-586 % similar Isoquercetin482-35-985 % similar Hyperoside482-36-085 % similar Myricetin 3-O-galactoside15648-86-980 % similar Isorhamnetin 3-O-glucoside5041-82-777 % similar

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

Same formula

Salvianolic acid D142998-47-8 (S,S)-Di-P-anisoyltartaric acid191605-10-4 (R,R)-Di-P-anisoyltartaric acid50583-51-2 Bifendate73536-69-3

Elsewhere

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