TPCN00123
![[object Object]](../../static/browser_molecular_png/TPCN00123.png)
| Name | 2-[4-Methyl-1-cyclohex-3-enyl]prop-2-en-1-O-6-malonyl-??-Dglucopyranosyl-(1??2)-6-malonyl-b-D-glucopyranoside |
| Molecular Formula | C28H40O17 |
| Molecular Weight | 648.61 |
| CAS Registry Number | 1588563-76-1 |
| SMILES | C=C(COC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O)C1CC=C(C)CC1 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Dracocephalum foetidum | Aerial parts | 0.003778% | Phytochemistry, 2014, 101, 91-100. | 10.1016/j.phytochem.2014.02.007 |
Properties
| HBA | 17 | HBD | 7 |
| HeavyAtoms | 45 | AlogP | -2.02 |
| TPSA | 265.27 | RotatableBonds | 14 |
| FractionCSP3 | 0.71 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |