01
何首乌
He Shou Wu / Polygoni Multiflori Radix; Radix Polygoni Multiflori
He Shou WuPolygoni Multiflori Radix; Radix Polygoni Multiflori
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Polygalacic acid
- Molecular Formula
- C30H48O6
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C(=O)O)C
- Isomeric SMILES
- C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)(CC(C([C@@]3(C)CO)O)O)C
- InChI
- InChI=1S/C30H48O6/c1-25(2)11-12-30(24(35)36)18(13-25)17-7-8-21-26(3)14-19(32)23(34)27(4,16-31)20(26)9-10-28(21,5)29(17,6)15-22(30)33/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19?,20+,21+,22?,23?,26-,27-,28+,29+,30+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.361
- 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 ingredient8 Herbs