pentagalloylglucose
(QJYNZEYHSMRWBK-NIKIMHBISA-N)
Structure
- SMILES
- O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
- Molecular Formula:
- C41H32O26
- Molecular Weight:
- 940.677
- Log P:
- 1.6861
- Hydrogen Bond Acceptor:
- 26
- Hydrogen Bond Donor:
- 15
- TPSA:
- 444.18
- CAS Number(s):
- 14937-32-7
Synonym(s)
1.
pentagalloylglucose
2.
beta-D-pentagalloylglucose
External Link(s)
| MeSH | C435084 |
| PubChem Compound | 65238 |
| BindingDB | 50241052 |
| ChEBI | 18082 |
| CHEMBL | CHEMBL382408 |
| KEGG | cpd:C04576 |
| Therapeutic Target Database | D00QDR |
| ZINC | 169292785 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Aortic Aneurysm, Abdominal | 17372168 | CTD |
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