TPCN03860
![[object Object]](../../static/browser_molecular_png/TPCN03860.png)
| Name | 3-O-beta-D-glucopyranosyl-(1-->3)-alpha-L-arabinopyranosyl-30-O-methyl spergulagenate 28-O-beta-D-glucopyranosyl ester;3-O-??-D-glucopyranosyl-(1??3)-??-L-arabinopyranosyl serjanic acid 28-O-??-D-glucopyranosyl ester |
| Molecular Formula | C48H76O19 |
| Molecular Weight | 957.12 |
| CAS Registry Number | 403652-08-4 |
| SMILES | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Amaranthaceae | Chenopodium quinoa | Seeds | 0.004000% | Phytochemistry . 2008 Jun;69(9):1919-26 | 10.1016/j.phytochem.2008.03.001 |
| Asteraceae | Calendula officinalis | Flowers | 0.000450% | Chem Pharm Bull (Tokyo), 2001, 49, 863-870. | 10.1248/cpb.49.863 |
Properties
| HBA | 19 | HBD | 10 |
| HeavyAtoms | 67 | AlogP | -0.07 |
| TPSA | 301.05 | RotatableBonds | 9 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |