01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Tinoside_qt
- Molecular Formula
- C20H22O6
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5
- Isomeric SMILES
- C[C@]12CC[C@H]3C(=O)O[C@H](C[C@@]3([C@H]1[C@@H]4C=C[C@]2(C(=O)O4)O)C)C5=COC=C5
- InChI
- InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20+/m0/s1
- Oral Bioavailability
- 85.678
- Drug Likeness
- 0.613
- 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