TPCN05387
![[object Object]](../../static/browser_molecular_png/TPCN05387.png)
| Name | Clematochinenoside J |
| Molecular Formula | C110H172O62 |
| Molecular Weight | 2486.52 |
| CAS Registry Number | 1445989-09-2 |
| SMILES | COc1ccc(C=CC(=O)OC2C(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)CCC%10(C(=O)OC%10OC(COC%11OC(CO)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C(O)C(O)C%10O)CCC89C)C7(C)CO)OCC(O)C6O)C5O)C(O)C4O)C(O)C3O)OC(CO)C(O)C2OC2OC(COC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Clematis chinensis | Roots | 0.001850% | J Asian Nat Prod Res. 2013. 15, 610-618 | 10.1080/10286020.2013.794418 |
Properties
| HBA | 62 | HBD | 34 |
| HeavyAtoms | 172 | AlogP | -14.13 |
| TPSA | 961.94 | RotatableBonds | 36 |
| FractionCSP3 | 0.89 | Rings | 18 |
| AromaticRings | 1 | AliphaticRings | 17 |