Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52300
- Core Entity Id
- 95311
- Source Entity Count
- 1
- Preferred Name
- 3-methylbutanoyl-1-o-β-d-glucopyranosyl-β-d-apiofuranoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C16H28O11
- Molecular Weight
- 396.1600
- 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-1-O-β-D-glucopyranosyl-β-D-apiofuranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-methylbutanoyl-1-o-β-d-glucopyranosyl-β-d-apiofuranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN044718
Etcm Ingredient
3-Methylbutanoyl-1-O-β-D-glucopyranosyl-β-D-apiofuranoside
Itcmdb Generated
ITX-INGREDIENT-9AC7616AD660
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/14166.mol2
Reference
1960
Molecular Weight
396.160
Molecular Formula
C16H28O11
Molecular Formula
C16H28O11
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.240