TPCN06024
![[object Object]](../../static/browser_molecular_png/TPCN06024.png)
| Name | 3-O-??-L-rhamnopyranosyl- (1??2)-??-D-glucuronopyranosyl-21-O-acetyl-22-O-??,??-dimethylacryloyl-R1-barrigenol |
| Molecular Formula | C49H76O18 |
| Molecular Weight | 953.13 |
| CAS Registry Number | 907594-44-9 |
| SMILES | CC(=O)OC1C(OC(=O)C=C(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Eryngium campestre | Roots | 0.002667% | J Nat Prod . 2006 Jul;69(7):1105-8 | 10.1021/np060101w |
Properties
| HBA | 18 | HBD | 9 |
| HeavyAtoms | 67 | AlogP | 1.88 |
| TPSA | 288.66 | RotatableBonds | 9 |
| FractionCSP3 | 0.86 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |