4-{(3S)-7-[4-(β-D-Glucopyranosyloxy)-3-Hydroxyphenyl]-3-Hydroxyheptyl}-2-Hydroxyphenyl β-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C31H44O15 |
| IUPAC Name | (2s,3r,4s,5s,6r)-2-[2-hydroxy-4-[(5s)-5-hydroxy-7-[3-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]heptyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| Molecular Mass | 656.672 g·mol−1 |
| Heat of Formation | -2713.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.32 ± 1.08 D |
| Volume | 766.56 Å 3 |
| Surface Area | 543.49 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | -0.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GPTLRCCVBQZPIL-BTNSERKDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |