01
Ingredients
(2r,3r,4r,5s,6r)-2-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
C21H24O11
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r,3r,4r,5s,6r)-2-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
- Molecular Formula
- C21H24O11
- Molecular Weight
- No data
- Canonical SMILES
- C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
- Isomeric SMILES
- C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O
- InChI
- InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2/t15-,16-,17-,18-,19-,20-,21-/m1/s1
- Oral Bioavailability
- 22.585
- Drug Likeness
- 0.276
- 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
