01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Α-hederin
- Molecular Formula
- C41H66O12
- Molecular Weight
- No data
- Canonical SMILES
- CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O
- Isomeric SMILES
- CC1C(C(C(C(O1)OC2C(C(COC2OC3CC[C@]4([C@@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O
- InChI
- InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21?,23-,24?,25+,26-,27?,28?,29?,30?,31?,32?,33?,34?,37+,38+,39-,40-,41+/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.155
- 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
02
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常春藤
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