1-O-[(2β,3β,5Xi,9β,18Alpha)-2,3,19-Trihydroxy-28-Oxours-12-En-28-Yl]-β-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C36H58O10
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1r,2r,4as,6ar,6as,6br,8ar,10r,11r,12ar,14bs)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Mass 650.840 g·mol−1
Heat of Formation 2849.9 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 669.09 Å 3
Surface Area 501.67 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
InChIKey MLKQAGPAYHTNQQ-ZVHPDCNMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O