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

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
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

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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 Ligustroflavone260413-62-579 % similar Tilianin4291-60-576 % similar Pectolinarin28978-02-175 % similar Apigenin 7-O-(2G-rhamnosyl)gentiobioside174284-20-974 % similar Neodiosmin38665-01-967 % similar Rhoifolin17306-46-666 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fortunellin20633-93-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook