01
Ingredients
(3s,5s,6r,9r)-3-hydroxy-5,6-epoxy-beta-ionol-9-o-beta-glucopyranoside
C19H32O8
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s,5s,6r,9r)-3-hydroxy-5,6-epoxy-beta-ionol-9-o-beta-glucopyranoside
- Molecular Formula
- C19H32O8
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C
- Isomeric SMILES
- CC1=CC(=O)CC([C@]1(CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C
- InChI
- InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.416
- 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