TPCN05974
![[object Object]](../../static/browser_molecular_png/TPCN05974.png)
| Name | Spergulin A |
| Molecular Formula | C35H58O11S |
| Molecular Weight | 686.91 |
| CAS Registry Number | 403740-06-7 |
| SMILES | CC(=O)C1(C)CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(OC4OCC(O)C(OS(=O)(=O)O)C4O)C(C)(C)C3CCC21C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Molluginaceae | Glinus oppositifolius | Aerial parts | 0.004800% | Nat Prod Res . 2013 Apr;27(7):624-9 | 10.1080/14786419.2012.686907 |
Properties
| HBA | 11 | HBD | 5 |
| HeavyAtoms | 47 | AlogP | 3.66 |
| TPSA | 180.05 | RotatableBonds | 5 |
| FractionCSP3 | 0.97 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |