chempirical

Diosmin

C28H32O15CAS 520-27-4608.55 g/mol

Open in Covalent MOL file
OOOHOOOOOHOHOHOHOHHOOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C28H32O15
Molar mass
608.55 g/mol
Exact mass
608.1741 Da
Melting point
274 °C (decomposes)
logP
-1.09Crippen estimate
Polar surface area
238.2 Ų
H-bond donors / acceptors
8 / 15
Rotatable bonds
7
Stereocentres
S, R, R, S, R, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
520-27-4
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)cc1O
InChIKey
GZSOSUNBTXMUFQ-YFAPSIMESA-N
InChI
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,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

28 names · show all
  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
  • 7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Diosmetin 7-β-rutinoside
  • 3′,5,7-Trihydroxy-4′-methoxyflavone 7-O-rutinoside
  • Diosmine
  • Diosmetin 7-rutinoside
  • Venosmine
  • Diosmetin 7-O-rhamnosyl(1→6)-glucoside
  • Insuven
  • Diosmil
  • Diovenor
  • Ven-detrex
  • Litosmil
  • Buchu resin
  • Hemerven
  • Flebosten
  • Barosmin
  • Varinon
  • Diosven
  • Flebosmil
  • Tovene
  • Dioven
  • Venex 500
  • 3′,5-Dihydroxyl-4′-methoxylflavanone-7-O-α-L-rhamnosyl (1→6)-β-D-glucopyranoside
  • Diosmetin 7-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside
  • Diosmetin 7-O-rutinoside
  • Phlebodia
  • Flebodia

Work with Diosmin

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

Linarin480-36-486 % similar Apigenin 7-O-rutinoside552-57-882 % similar Diosmetin 7-O-β-D-glucoside20126-59-478 % similar Pectolinarin28978-02-167 % similar Veronicastroside25694-72-866 % similar Tilianin4291-60-565 % similar Cynaroside5373-11-563 % similar Rhoifolin17306-46-663 % similar

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

Same formula

Neodiosmin38665-01-9 Spinosin72063-39-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook