TPCN06160
![[object Object]](../../static/browser_molecular_png/TPCN06160.png)
| Name | Ent-epicatechinoceanothic acid A |
| Molecular Formula | C45H56O9 |
| Molecular Weight | 740.93 |
| CAS Registry Number | 2055516-83-9 |
| SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C6C(=O)c7c(cc(O)c8c7OC(c7ccc(O)c(O)c7)C(O)C8)OC6C(C)(C)C5CCC43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rhamnaceae | Zizyphus jujuba | Roots | 0.000463% | J Nat Prod . 2017 Apr 28;80(4):1048-1054 | 10.1021/acs.jnatprod.6b01103 |
Properties
| HBA | 9 | HBD | 5 |
| HeavyAtoms | 54 | AlogP | 8.36 |
| TPSA | 153.75 | RotatableBonds | 3 |
| FractionCSP3 | 0.64 | Rings | 9 |
| AromaticRings | 2 | AliphaticRings | 7 |