TPCN04969
![[object Object]](../../static/browser_molecular_png/TPCN04969.png)
| Name | Nebuloside B |
| Molecular Formula | C81H128O45 |
| Molecular Weight | 1821.87 |
| CAS Registry Number | 1424371-61-8 |
| SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila arrostii | Barks | 0.003143% | Bioorg Med Chem 21, 1279-1283 (2013). | 10.1016/j.bmc.2012.12.036 |
Properties
| HBA | 45 | HBD | 24 |
| HeavyAtoms | 126 | AlogP | -9.67 |
| TPSA | 702.87 | RotatableBonds | 23 |
| FractionCSP3 | 0.94 | Rings | 14 |
| AromaticRings | 0 | AliphaticRings | 14 |