01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Leosibiricin
- Molecular Formula
- C22H28O7
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OC1(C(=O)C2C3C(CCCC3(C14CCC5(O4)COC=C5)C)(C(=O)O2)C)C
- Isomeric SMILES
- CC(=O)O[C@]1(C(=O)[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]14CC[C@]5(O4)COC=C5)C)(C(=O)O2)C)C
- InChI
- InChI=1S/C22H28O7/c1-13(23)28-20(4)16(24)14-15-18(2,17(25)27-14)6-5-7-19(15,3)22(20)9-8-21(29-22)10-11-26-12-21/h10-11,14-15H,5-9,12H2,1-4H3/t14-,15-,18-,19-,20-,21+,22+/m0/s1
- Oral Bioavailability
- 25.261
- Drug Likeness
- 0.620
- 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