01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 14
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Ajugoside
- Molecular Formula
- C17H26O10
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OC1(CCC2C1C(OC=C2)OC3C(C(C(C(O3)(CO)O)O)O)O)C
- Isomeric SMILES
- CC(=O)OC1(CC[C@H]2C1C(OC=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@](O3)(CO)O)O)O)O)C
- InChI
- InChI=1S/C17H26O10/c1-8(19)26-16(2)5-3-9-4-6-24-14(10(9)16)25-15-12(21)11(20)13(22)17(23,7-18)27-15/h4,6,9-15,18,20-23H,3,5,7H2,1-2H3/t9-,10?,11-,12-,13+,14?,15+,16?,17-/m1/s1
- Oral Bioavailability
- 12.149
- Drug Likeness
- 0.352
- 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.
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熟地黄
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