TPCN00444
![[object Object]](../../static/browser_molecular_png/TPCN00444.png)
| Name | Xanmonoter A |
| Molecular Formula | C21H36O11 |
| Molecular Weight | 464.51 |
| CAS Registry Number | 2235377-59-8 |
| SMILES | C=CC(O)(CCC=C(C)C)COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Xanthium strumarium | Fruits | 0.000278% | Nat Prod Res, 2019, 33, 3383-3388. | 10.1080/14786419.2018.1479701 |
Properties
| HBA | 11 | HBD | 7 |
| HeavyAtoms | 32 | AlogP | -2.07 |
| TPSA | 178.53 | RotatableBonds | 11 |
| FractionCSP3 | 0.81 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |