Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69944
- Core Entity Id
- 132593
- Source Entity Count
- 1
- Preferred Name
- Aloe emodin glucoside
- Name En
- Pubchem Id
- 5458442
- Smiles Canonical
- C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)COC4C(C(C(C(O4)O)O)O)CO
- Molecular Formula
- C21H20O10
- Molecular Weight
- 432.1100
- Inchikey
- LOAUQRWHQYTOLG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H22O9/c22-7-12-17(25)19(27)20(28)30-21(12)29-8-9-4-11-6-10-2-1-3-13(23)15(10)18(26)16(11)14(24)5-9/h1-5,12,17,19-25,27-28H,6-8H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 157.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aloe emodin glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Aloe emodin glucoside
Itcmdb Generated
ITX-INGREDIENT-26346F5CA6F0
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
432.110
Molecular Formula
C21H20O10
Fda Maximum Daily Dose (Fdamdd)
0.051
Quantitative Estimate Of Drug Likeness（Qed）
0.312