IngredientID 52733
3-methylbutanoyl-6-o-α-d-glucopyranosyl-β-d-fructofuranosideand
C17H30O12
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52733
- Core Entity Id
- 95744
- Source Entity Count
- 1
- Preferred Name
- 3-methylbutanoyl-6-o-α-d-glucopyranosyl-β-d-fructofuranosideand
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C17H30O12
- Molecular Weight
- 426.1700
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Methylbutanoyl-6-O-α-D-glucopyranosyl-β-D-fructofuranosideand
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-methylbutanoyl-6-o-α-d-glucopyranosyl-β-d-fructofuranosideand
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN047757
Etcm Ingredient
3-Methylbutanoyl-6-O-α-D-glucopyranosyl-β-D-fructofuranosideand
Itcmdb Generated
ITX-INGREDIENT-566BCA04ED4A
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/14167.mol2
Reference
1960
Molecular Weight
426.170
Molecular Formula
C17H30O12
Molecular Formula
C17H30O12119
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.187