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Ingredients

Agnuside

C22H26O11

Entity Type
Ingredients
Relation Groups
2
Relation Preview
3

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Agnuside
Molecular Formula
C22H26O11
Molecular Weight
No data
Canonical SMILES
C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1
Oral Bioavailability
22.014
Drug Likeness
0.219
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

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient2 Herbs
01
蔓荆子
Man Jing Zi / Fructus Viticis; Viticis Fructus
Man Jing ZiFructus Viticis; Viticis Fructus