ITCMDBv1
IngredientID 42330

18-(Β-D-Oxy Glucose)-28-Oxo-12-Oleanolic Acid-3Β-3-O-(Β-D-Glucose)-Β-D-Glucuronic Acid Methylester

C49H78O19

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Relationship Network

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Ingredient: 1Target: 2Links: 4
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
42330
Core Entity Id
85341
Source Entity Count
1
Preferred Name
18-(Β-D-Oxy Glucose)-28-Oxo-12-Oleanolic Acid-3Β-3-O-(Β-D-Glucose)-Β-D-Glucuronic Acid Methylester
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C49H78O19
Molecular Weight
971.2700
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
2.3474
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
18-(Β-D-Oxy Glucose)-28-Oxo-12-Oleanolic Acid-3Β-3-O-(Β-D-Glucose)-Β-D-Glucuronic Acid Methylester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
18-(β-D-Oxy glucose)-28-Oxo-12-oleanolic acid-3β-3-O-(β-D-glucose)-β-D-glucuronic acid methylester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
18-(β-D-Oxy glucose)-28-Oxo-12-oleanolic acid-3β-3-O-(β-D-glucose)-β-D-glucuronic acid methylester
Role
preferred
Source
TCMBank
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Tcmbank
TCMBANKIN007576
Etcm Ingredient
18-(β-D-Oxy glucose)-28-Oxo-12-oleanolic acid-3β-3-O-(β-D-glucose)-β-D-glucuronic acid methylester
Itcmdb Generated
ITX-INGREDIENT-E8528ACEE26D

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v1,v2
Ob Score
2.3473778382.347378
Suppress
0
Molecule Weight
971.27
Molecular Weight
970.510
Molecular Weight
971.27
Molecular Formula
C49H78O19
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.085