IngredientID 44380
3-O-[Α-L-Rhamnopyranosyl-(1→3)-(N-Butyl-Β-D-Glucopyranosiduronate}-28-O-Β-D-Glucopyranosyl Oleanolic Acid
C52H84O18
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
- 44380
- Core Entity Id
- 87391
- Source Entity Count
- 1
- Preferred Name
- 3-O-[Α-L-Rhamnopyranosyl-(1→3)-(N-Butyl-Β-D-Glucopyranosiduronate}-28-O-Β-D-Glucopyranosyl Oleanolic Acid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C52H84O18
- Molecular Weight
- 997.3600
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 2.3979
- 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-[Α-L-Rhamnopyranosyl-(1→3)-(N-Butyl-Β-D-Glucopyranosiduronate}-28-O-Β-D-Glucopyranosyl Oleanolic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-O-[α-L-rhamnopyranosyl-(1→3)-(n-butyl-β-D-glucopyranosiduronate}-28-O-β-D-glucopyranosyl oleanolic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-O-[α-L-rhamnopyranosyl-(1→3)-(n-butyl-β-D-glucopyranosiduronate}-28-O-β-D-glucopyranosyl oleanolic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN014815
Etcm Ingredient
3-O-[α-L-rhamnopyranosyl-(1→3)-(n-butyl-β-D-glucopyranosiduronate}-28-O-β-D-glucopyranosyl oleanolic acid
Itcmdb Generated
ITX-INGREDIENT-4DE8A39B6E35
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
2.3978722.39787202
Suppress
0
Molecule Weight
997.36
Molecular Weight
996.570
Molecular Weight
997.36
Molecular Formula
C52H84O18
Fda Maximum Daily Dose (Fdamdd)
0.054
Quantitative Estimate Of Drug Likeness（Qed）
0.062