TPCN00217
![[object Object]](../../static/browser_molecular_png/TPCN00217.png)
| Name | (3S)3-O-(3',4'-diangeloyl-b-D-glucopyranosyloxy)-7-hydroperoxy-3,7-dimethylocta-1,5-diene |
| Molecular Formula | C26H40O10 |
| Molecular Weight | 512.60 |
| CAS Registry Number | 358721-99-0 |
| SMILES | C=CC(C)(CC=CC(C)(C)OO)OC1OC(CO)C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CC)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Aster scaber | Aerial parts | 0.001190% | Chem Pharm Bull (Tokyo), 2001, 49, 912-914. | 10.1248/cpb.49.912 |
Properties
| HBA | 10 | HBD | 3 |
| HeavyAtoms | 36 | AlogP | 3.00 |
| TPSA | 140.98 | RotatableBonds | 12 |
| FractionCSP3 | 0.62 | Rings | 1 |
| AromaticRings | 0 | AliphaticRings | 1 |