TPCN04957
![[object Object]](../../static/browser_molecular_png/TPCN04957.png)
| Name | Scabrioside B |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.25 |
| CAS Registry Number | 212068-03-6 |
| SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)(CCC(C)C6(C)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Lomelosia rotata | Roots | 0.003533% | Phytochemistry 48, 867-873 (1998) | 10.1016/s0031-9422(97)00982-5 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 75 | AlogP | -1.40 |
| TPSA | 353.90 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |