chempirical

Homoplantaginin

C22H22O11CAS 17680-84-1462.41 g/mol

Open in Covalent MOL file
OOOOHOHOHOHOOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C22H22O11
Molar mass
462.41 g/mol
Exact mass
462.1162 Da
Melting point
219–220 °C (decomposes)
logP
0.06Crippen estimate
Polar surface area
179.3 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
5
Stereocentres
S, 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. Search the SDS library

Identifiers

CAS number
17680-84-1
SMILES
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIKey
GCLAFEGUXXHIFT-IWLDQSELSA-N
InChI
InChI=1S/C22H22O11/c1-30-21-14(32-22-20(29)19(28)17(26)15(8-23)33-22)7-13-16(18(21)27)11(25)6-12(31-13)9-2-4-10(24)5-3-9/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-
  • 7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
  • Dinatin 7-β-D-glucopyranoside
  • Dinatin 7-glucoside
  • Hispidulin 7-glucoside
  • Hispiduloside
  • Hispidulin 7-O-β-glucoside
  • Hispidulin 7-β-D-glucopyranoside
  • Hispidulin 7-β-glucoside
  • Hispidulin 7-O-glucopyranoside
  • Hispidulin 7-O-glucoside
  • 6-Methoxyapigenin 7-O-glucoside
  • Hispidulin 7-O-β-D-glucopyranoside
  • 6-Methoxyapigenin 7-O-β-D-glucoside

Work with Homoplantaginin

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

Nepitrin569-90-484 % similar Saponarin20310-89-876 % similar Spinosin72063-39-972 % similar Pectolinarin28978-02-169 % similar Apigetrin578-74-566 % similar Baicalein 7-O-diglucoside114482-86-965 % similar Tilianin4291-60-564 % similar Oroxylin A 7-O-glucuronide36948-76-264 % similar

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

Same formula

7-O-Beta-D-glucopyranoside19993-32-9 Diosmetin 7-O-β-D-glucoside20126-59-4 Tectoridin611-40-5

Elsewhere

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