chempirical

Gardenoside

C17H24O11CAS 24512-62-7404.37 g/mol

Open in Covalent MOL file
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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

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 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 Sesamoside117479-87-549 % similar

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

Same formula

Feretoside27530-67-2 Secoxyloganin58822-47-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook