IngredientID 65378
"(2E,6S)-8-[α-L-arabinopyranosyl (1""→6')-β-D-Glucopyranosyloxy]-2,6-dimethyloct-2-eno-1,2""-lactone"
C21H34O11
Relationship Network
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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65378
- Core Entity Id
- 128027
- Source Entity Count
- 1
- Preferred Name
- "(2E,6S)-8-[α-L-arabinopyranosyl (1""→6')-β-D-Glucopyranosyloxy]-2,6-dimethyloct-2-eno-1,2""-lactone"
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C21H34O11
- Molecular Weight
- 462.2100
- 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
"(2E,6S)-8-[α-L-arabinopyranosyl (1""→6')-β-D-Glucopyranosyloxy]-2,6-dimethyloct-2-eno-1,2""-lactone"
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
"(2E,6S)-8-[α-L-arabinopyranosyl (1""→6')-β-D-Glucopyranosyloxy]-2,6-dimethyloct-2-eno-1,2""-lactone"
Itcmdb Generated
ITX-INGREDIENT-09AB6DB5C1A8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
462.210
Molecular Formula
C21H34O11
Fda Maximum Daily Dose (Fdamdd)
0.053
Quantitative Estimate Of Drug Likeness（Qed）
0.268