TPCN06078
![[object Object]](../../static/browser_molecular_png/TPCN06078.png)
| Name | 3-[(O-(4-O-sulfo-??-D-glucopyranosyl)-(1??3)-??-L-arabinopyranosyl)oxy]-30-noroleana-12,20(29)-dien-28-oic acid ??-D-glucopyranosyl ester sodium salt |
| Molecular Formula | C46H72NaO20S |
| Molecular Weight | 1000.12 |
| CAS Registry Number | 1260096-77-2 |
| SMILES | C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(OS(=O)(=O)O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1.[Na] |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Zygophyllaceae | Larrea tridentata | Aerial parts | 0.001213% | Phytochemistry . 2010 Dec;71(17-18):2157-67 | 10.1016/j.phytochem.2010.09.012 |
Properties
| HBA | 20 | HBD | 10 |
| HeavyAtoms | 68 | AlogP | -0.24 |
| TPSA | 318.12 | RotatableBonds | 10 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |