TPCN06325
![[object Object]](../../static/browser_molecular_png/TPCN06325.png)
| Name | Epicatechino-3-deoxyceanothetric acid A |
| Molecular Formula | C45H56O10 |
| Molecular Weight | 756.93 |
| CAS Registry Number | 2095153-01-6 |
| SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(C(=O)O)C(CCC4C5(C)C(=Cc6c(O)cc(O)c7c6OC(c6ccc(O)c(O)c6)C(O)C7)CC(C)(C)C5CCC43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rhamnaceae | Zizyphus jujuba | Roots | 0.000033% | J Nat Prod . 2017 Apr 28;80(4):1048-1054 | 10.1021/acs.jnatprod.6b01103 |
Properties
| HBA | 10 | HBD | 7 |
| HeavyAtoms | 55 | AlogP | 8.35 |
| TPSA | 184.98 | RotatableBonds | 5 |
| FractionCSP3 | 0.60 | Rings | 8 |
| AromaticRings | 2 | AliphaticRings | 6 |