01
Ingredients
(2r,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxy-benzyl)oxy-6-methylol-tetrahydropyran-3,4,5-triol
C14H20O8
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxy-benzyl)oxy-6-methylol-tetrahydropyran-3,4,5-triol
- Molecular Formula
- C14H20O8
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)COC2C(C(C(C(O2)CO)O)O)O)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- InChI
- InChI=1S/C14H20O8/c1-20-9-4-7(2-3-8(9)16)6-21-14-13(19)12(18)11(17)10(5-15)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
- Oral Bioavailability
- 9.135
- Drug Likeness
- 0.454
- 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 ingredient1 Herbs