01
Ingredients
2-benzyl-4,6-dihydroxy benzoic acid-6-o-beta-d-glucopyranoside
C20H22O9
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-benzyl-4,6-dihydroxy benzoic acid-6-o-beta-d-glucopyranoside
- Molecular Formula
- C20H22O9
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C(C=C1)CC2=C(C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O
- Isomeric SMILES
- C1=CC=C(C=C1)CC2=C(C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O
- InChI
- InChI=1S/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-12(22)7-11(15(13)19(26)27)6-10-4-2-1-3-5-10/h1-5,7-8,14,16-18,20-25H,6,9H2,(H,26,27)/t14-,16-,17+,18-,20-/m1/s1
- Oral Bioavailability
- 14.551
- Drug Likeness
- 0.384
- 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.
Source Herbs
herb ingredient2 Herbs