Avicularin

C20H18O11CAS 572-30-5434.35 g/mol

Open in Covalent MOL file
OOOHOHOOHOHOHOOHHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C20H18O11
Molar mass
434.35 g/mol
Exact mass
434.0849 Da
Melting point
207–208 °C
logP
0.10Crippen estimate
Polar surface area
190.3 Ų
H-bond donors / acceptors
7 / 11
Rotatable bonds
4
Stereocentres
S, S, R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
572-30-5
SMILES
O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIKey
BDCDNTVZSILEOY-UXYNSRGZSA-N
InChI
InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1

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Names and synonyms

6 names
  • 4H-1-Benzopyran-4-one, 3-(α-L-arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 3-(α-L-Arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Avicularoside
  • Quercetin 3-α-L-arabinofuranoside
  • Avicularine
  • Quercetin 3-O-α-L-arabinofuranoside

Work with Avicularin

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

Isoquercetin482-35-998 % similar Hyperoside482-36-098 % similar Quercetin 3-O-gentiobioside7431-83-689 % similar Quercetin 3-O-sophoroside18609-17-187 % similar Juglanin5041-67-886 % similar Astragalin480-10-485 % similar Myricetin 3-O-galactoside15648-86-981 % similar Isorhamnetin 3-O-glucoside5041-82-780 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Guaijaverin22255-13-6 Reynoutrin549-32-6

Elsewhere

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