IngredientID 49162
4-Hydroxy-1-(2-Nitroethyl)Benene-4-0-(6'-0-Β-D-Xylopyranosy)-Β-D-Glucopyranoside
C19H25NO10
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
- 49162
- Core Entity Id
- 92173
- Source Entity Count
- 1
- Preferred Name
- 4-Hydroxy-1-(2-Nitroethyl)Benene-4-0-(6'-0-Β-D-Xylopyranosy)-Β-D-Glucopyranoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C19H25NO10
- Molecular Weight
- 427.4500
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 18.0368
- 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
4-Hydroxy-1-(2-Nitroethyl)Benene-4-0-(6'-0-Β-D-Xylopyranosy)-Β-D-Glucopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-hydroxy-1-(2-nitroethyl)benene-4-0-(6'-0-β-D-xylopyranosy)-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-hydroxy-1-(2-nitroethyl)benene-4-0-(6'-0-β-D-xylopyranosy)-β-D-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN030734
Etcm Ingredient
4-hydroxy-1-(2-nitroethyl)benene-4-0-(6'-0-β-D-xylopyranosy)-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-6CE26EB95C86
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
18.03682118.0368212
Suppress
0
Molecule Weight
427.45
Molecular Weight
427.150
Molecular Weight
427.45
Molecular Formula
C19H25NO10
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.276