01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Harpagide acetate
- Molecular Formula
- C17H26O10
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OCC1CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O
- Isomeric SMILES
- CC(=O)OCC1CC(C2C1C(OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
- InChI
- InChI=1S/C17H26O10/c1-7(19)25-6-8-4-10(20)9-2-3-24-16(12(8)9)27-17-15(23)14(22)13(21)11(5-18)26-17/h2-3,8-18,20-23H,4-6H2,1H3/t8?,9?,10?,11-,12?,13-,14+,15-,16?,17+/m1/s1
- Oral Bioavailability
- 9.178
- Drug Likeness
- 0.328
- 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