TPCN06345
![[object Object]](../../static/browser_molecular_png/TPCN06345.png)
| Name | Ent-epicatechinoceanothic acid B |
| Molecular Formula | C45H56O8 |
| Molecular Weight | 724.94 |
| CAS Registry Number | 2095153-00-5 |
| SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)C6=Cc7c(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 | 0.000011% | J Nat Prod . 2017 Apr 28;80(4):1048-1054 | 10.1021/acs.jnatprod.6b01103 |
Properties
| HBA | 8 | HBD | 5 |
| HeavyAtoms | 53 | AlogP | 8.95 |
| TPSA | 136.68 | RotatableBonds | 3 |
| FractionCSP3 | 0.62 | Rings | 9 |
| AromaticRings | 2 | AliphaticRings | 7 |