Gardenoside

Molecule SVG Image

Properties Simple | Detailed

Formula C17H24O11
IUPAC Name methyl (1r,4ar,7s,7ar)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[c]pyran-4-carboxylate
Molecular Mass 404.366 g·mol−1
Heat of Formation -1875.1 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 441.85 Å 3
Surface Area 361.48 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,7s,7ar)-7-hydroxy-7-(hydroxymethyl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1r,4ar,7s,7ar)-7-hydroxy-7-methylol-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • methyl (1r,4ar,7s,7ar)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylate
  • methyl (1r,4ar,7s,7ar)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylate
InChIKey XJMPAUZQVRGFRE-ZYEJEXACSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O