echinacoside
(FSBUXLDOLNLABB-ISAKITKMSA-N)
Structure
- SMILES
- OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(c(c3)O)O)[C@@H]([C@H]([C@@H]2OC(=O)/C=C/c2ccc(c(c2)O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
- Molecular Formula:
- C35H46O20
- Molecular Weight:
- 786.728
- Log P:
- -3.1917
- Hydrogen Bond Acceptor:
- 20
- Hydrogen Bond Donor:
- 12
- TPSA:
- 324.44
- CAS Number(s):
- 82854-37-3
Synonym(s)
1.
echinacoside
External Link(s)
| MeSH | C060297 |
| PubChem Compound | 5281771 |
| ChEBI | 4745 |
| CHEMBL | CHEMBL510539 |
| DrugBank | DB15488 |
| KEGG | cpd:C10450 |
| ZINC | 85504689 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Liver diseases | 17222497 | CTD | |
| 2 | Parkinsonian Disorders | 27432061 | CTD |
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