TPCN05857
![[object Object]](../../static/browser_molecular_png/TPCN05857.png)
| Name | Segetoside B |
| Molecular Formula | C69H106O33 |
| Molecular Weight | 1463.57 |
| CAS Registry Number | 573992-02-6 |
| SMILES | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(C)C(OC(C)=O)C(OC6OC(COC(C)=O)C(O)C6O)C5OC5OC(C)C(OC6OCC(O)C(O)C6O)C(O)C5O)CCC34C)C2(C)C=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Vaccaria segetalis | Seeds | 0.000060% | J Asian Nat Prod Res. 1999;1(3):199-205. | 10.1080/10286029908039865. |
Properties
| HBA | 33 | HBD | 13 |
| HeavyAtoms | 102 | AlogP | -2.55 |
| TPSA | 486.79 | RotatableBonds | 18 |
| FractionCSP3 | 0.90 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |