Gardenoside

C17H24O11CAS 24512-62-7404.37 g/mol

Open in Covalent MOL file
OOOOOOHOHOHOHOHOH
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C17H24O11
Molar mass
404.37 g/mol
Exact mass
404.1319 Da
logP
-3.26Crippen estimate
Polar surface area
175.4 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
5
Stereocentres
S, S, R, S, S, R, S, S, Sin 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
24512-62-7
SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)CO
InChIKey
XJMPAUZQVRGFRE-AYDWLWLASA-N
InChI
InChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3/t7-,9-,10-,11-,12+,13-,15+,16+,17-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7S,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, methyl ester, [1S-(1α,4aα,7α,7aα)]-
  • NSC 325664
  • Hydroxyisoindoside

Work with Gardenoside

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

Monotropein5945-50-677 % similar Shanzhiside methyl ester64421-28-962 % similar Verbenalin548-37-858 % similar Geniposide24512-63-857 % similar Barlerin57420-46-955 % similar Loganin18524-94-255 % similar Morroniside25406-64-855 % similar Genipin gentiobioside29307-60-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Feretoside27530-67-2 Deacetyl asperulosidic acid methyl ester52613-28-2 Secoxyloganin58822-47-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook