TPCN02829
![[object Object]](../../static/browser_molecular_png/TPCN02829.png)
| Name | (2??,4??,15??)-15-Hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-??-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid |
| Molecular Formula | C30H46O16S2 |
| Molecular Weight | 726.82 |
| CAS Registry Number | 1398-13-6 |
| SMILES | C=C1C2CCC3C4(C)CC(OC5OC(CO)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C5OC(=O)CC(C)C)CC(C(=O)O)C4CCC3(C2)C1O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Xanthium chinense | Fruits | 0.000227% | J Asian Nat Prod Res 21, 207-216 (2019). | 10.1080/10286020.2018.1526788 |
Properties
| HBA | 16 | HBD | 5 |
| HeavyAtoms | 48 | AlogP | 1.67 |
| TPSA | 249.72 | RotatableBonds | 11 |
| FractionCSP3 | 0.87 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |