TPCN03825
![[object Object]](../../static/browser_molecular_png/TPCN03825.png)
| Name | Nigellosides B |
| Molecular Formula | C59H94O27 |
| Molecular Weight | 1235.37 |
| CAS Registry Number | 942996-99-8 |
| SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C=O)OCC(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000544% | Chem Pharm Bull (Tokyo) 55, 646-650 (2007). | 10.1248/cpb.55.646 |
Properties
| HBA | 27 | HBD | 15 |
| HeavyAtoms | 86 | AlogP | -3.37 |
| TPSA | 429.89 | RotatableBonds | 14 |
| FractionCSP3 | 0.93 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |