TPCN00002
![[object Object]](../../static/browser_molecular_png/TPCN00002.png)
| Name | Pterocephaline |
| Molecular Formula | C44H56N2O20 |
| Molecular Weight | 932.93 |
| CAS Registry Number | 1220865-46-2 |
| SMILES | C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Pterocephalus pinardii | Aerial parts | 0.001455% | Magn Reson Chem, 2010, 48, 239-243. | 10.1002/mrc.2559 |
Properties
| HBA | 22 | HBD | 11 |
| HeavyAtoms | 66 | AlogP | -1.91 |
| TPSA | 334.94 | RotatableBonds | 13 |
| FractionCSP3 | 0.61 | Rings | 8 |
| AromaticRings | 2 | AliphaticRings | 6 |