IngredientID 5079
3-o-methyl malonylhederagenin-28-o-alpha-l-rhamnopyranosyl(1-4)-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranoside
C52H82O21
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
- 5079
- Core Entity Id
- 8837
- Source Entity Count
- 1
- Preferred Name
- 3-o-methyl malonylhederagenin-28-o-alpha-l-rhamnopyranosyl(1-4)-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C52H82O21
- Molecular Weight
- 1042.5300
- 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-methyl malonylhederagenin-28-O-alpha-L-rhamnopyranosyl(1-4)-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-o-methyl malonylhederagenin 28-o-alpha-l-rhamnopyranosyl-(1→4)-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-o-methyl malonylhederagenin 28-o-alpha-l-rhamnopyranosyl-(1→4)-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-o-methyl malonylhederagenin-28-o-alpha-l-rhamnopyranosyl(1-4)-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3-o-methyl malonylhederagenin 28-o-alpha-l-rhamnopyranosyl-(1→4)-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009357HBIN009358
Tcmid
1456531656
Tcmbank
TCMBANKIN049099
Etcm Ingredient
3-O-methyl malonylhederagenin-28-O-alpha-L-rhamnopyranosyl(1-4)-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-64E232C015E9
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2003_3d_all/5750.mol2
Reference
862
Molecular Weight
1042.530
Molecular Formula
C52H82O21
Molecular Formula
C52H82O21
Molecular Formula
C52H82O21C52H82O21270
Fda Maximum Daily Dose (Fdamdd)
0.282
Quantitative Estimate Of Drug Likeness（Qed）
0.054