TPCN00273
![[object Object]](../../static/browser_molecular_png/TPCN00273.png)
| Name | Monardins B |
| Molecular Formula | C28H38O17 |
| Molecular Weight | 646.60 |
| CAS Registry Number | 1262796-92-8 |
| SMILES | Cc1ccc(C(C)C)cc1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Monarda punctata | Whole plants | 0.000766% | Phytochemistry, 2010, 71, 1884-1891. | 10.1016/j.phytochem.2010.08.009 |
Properties
| HBA | 17 | HBD | 7 |
| HeavyAtoms | 45 | AlogP | -1.83 |
| TPSA | 265.27 | RotatableBonds | 13 |
| FractionCSP3 | 0.64 | Rings | 3 |
| AromaticRings | 1 | AliphaticRings | 2 |