IngredientID 4936
3-o-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyra-noside of ethyl 3-hydroxyoctanoate
C22H40O13
Relationship Network
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Herb: 2Ingredient: 1Links: 2
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4936
- Core Entity Id
- 8679
- Source Entity Count
- 1
- Preferred Name
- 3-o-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyra-noside of ethyl 3-hydroxyoctanoate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C22H40O13
- Molecular Weight
- 512.2500
- 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-O--beta-D-Glucopyranosyl-(1->6)--beta-D-glucopyranoside of ethyl 3-hydroxyoctanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyra-noside of ethyl 3-hydroxyoctanoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyra-noside of ethyl 3-hydroxyoctanoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3-O--beta-D-Glucopyranosyl-(1->6)--beta-D-glucopyranoside of ethyl 3-hydroxyoctanoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009202
Tcmid
8636
Etcm Ingredient
3-O--beta-D-Glucopyranosyl-(1->6)--beta-D-glucopyranoside of ethyl 3-hydroxyoctanoate
Itcmdb Generated
ITX-INGREDIENT-A73D62917D6B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
512.250
Molecular Formula
C22H40O13
Molecular Formula
C22H40O13
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.101