01
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 27
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- brusatol
- Molecular Formula
- C26H32O11
- Molecular Weight
- 521
- Canonical SMILES
- C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C(=O)O 4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[H]
- Isomeric SMILES
- No data
- InChI
- No data
- Oral Bioavailability
- 45.687
- Drug Likeness
- No data
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.