chempirical

Linarin

C28H32O14CAS 480-36-4592.55 g/mol

Open in Covalent MOL file
OOOHOOOOOHOHOHOHOHHOO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C28H32O14
Molar mass
592.55 g/mol
Exact mass
592.1792 Da
Melting point
260 °C (decomposes)
logP
-0.80Crippen estimate
Polar surface area
218.0 Ų
H-bond donors / acceptors
7 / 14
Rotatable bonds
7
Stereocentres
S, R, R, S, R, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
480-36-4
SMILES
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
InChIKey
YFVGIJBUXMQFOF-PJOVQGMDSA-N
InChI
InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Acaciin
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-
  • 7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Buddleoflavonoloside
  • Linarigenin glycoside
  • Acacetin 7-O-rutinoside
  • Buddleoside
  • Acacetin-7-O-β-D-rutinoside
  • Acacetin 7-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside
  • 5-Hydroxy-4′-methoxyflavone-7-O-rutinoside
  • Acacetin-7-O-(6′′-O-rhamnose)-β-D-glucoside
  • Linarine

Work with Linarin

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

Apigenin 7-O-rutinoside552-57-887 % similar Diosmin520-27-486 % similar Tilianin4291-60-576 % similar Pectolinarin28978-02-175 % similar Neodiosmin38665-01-967 % similar Rhoifolin17306-46-666 % similar Diosmetin 7-O-β-D-glucoside20126-59-466 % similar Robinin301-19-964 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook