TPCN00862
![[object Object]](../../static/browser_molecular_png/TPCN00862.png)
| Name | Crepidiaside B |
| Molecular Formula | C21H28O9 |
| Molecular Weight | 424.45 |
| CAS Registry Number | 101921-35-1 |
| SMILES | CC1=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C2C2OC(=O)C(C)C2CC1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Cichorium intybus | Roots | 0.025381% | Z Naturforsch C J Biosci 57(11-12): 994-997.(2002) | 10.1515/znc-2002-11-1207 |
| Asteraceae | Cichorium endivia | Roots | 0.000635% | Chem Pharm Bull (Tokyo) 36(7): 2423-2429.(1988) | 10.1248/cpb.36.2423 |
Properties
| HBA | 9 | HBD | 4 |
| HeavyAtoms | 30 | AlogP | -0.78 |
| TPSA | 142.75 | RotatableBonds | 4 |
| FractionCSP3 | 0.71 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |