IngredientID 65635
(7R,8S)-4,7,9,9'-Tetrahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan-7-O-β-D-glucoside
C26H36O12
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65635
- Core Entity Id
- 128284
- Source Entity Count
- 1
- Preferred Name
- (7R,8S)-4,7,9,9'-Tetrahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan-7-O-β-D-glucoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C26H36O12
- Molecular Weight
- 540.2200
- 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
(7R,8S)-4,7,9,9'-Tetrahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan-7-O-β-D-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(7R,8S)-4,7,9,9'-Tetrahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan-7-O-β-D-glucoside
Itcmdb Generated
ITX-INGREDIENT-83FA4B72B1D6
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
540.220
Molecular Formula
C26H36O12
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.175