TPCN04871
![[object Object]](../../static/browser_molecular_png/TPCN04871.png)
| Name | Phyteumosides B |
| Molecular Formula | C50H86O21 |
| Molecular Weight | 1023.22 |
| CAS Registry Number | 1270009-06-7 |
| SMILES | CC(=O)OC(CC=C(C)CCC(O)C(C)(C)O)C(C)(O)C1CCC2C(C)(CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)CCC23C)O1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Campanulaceae | Phyteuma orbiculare | Aerial parts | 0.017699% | Org Lett 13, 1354-1357 (2011) | 10.1021/ol200047v |
Properties
| HBA | 21 | HBD | 12 |
| HeavyAtoms | 71 | AlogP | -0.43 |
| TPSA | 333.67 | RotatableBonds | 17 |
| FractionCSP3 | 0.94 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |