IngredientID 50151
Neotigogenin-3-O-Β-D-Glucopyranosyl(1→2)-Β-D-Glucopyranosyl(1→4)-Β-D-Galactopyrano-Side
C45H74O18
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
- 50151
- Core Entity Id
- 93162
- Source Entity Count
- 1
- Preferred Name
- Neotigogenin-3-O-Β-D-Glucopyranosyl(1→2)-Β-D-Glucopyranosyl(1→4)-Β-D-Galactopyrano-Side
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C45H74O18
- Molecular Weight
- 902.4900
- 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
Neotigogenin-3-O-Β-D-Glucopyranosyl(1→2)-Β-D-Glucopyranosyl(1→4)-Β-D-Galactopyrano-Side
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Neotigogenin-3-O-β-D-glucopyranosyl(1→2)-β-D- glucopyranosyl(1→4)-β-D-galactopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Neotigogenin-3-O-β-D-glucopyranosyl(1→2)-β-D- glucopyranosyl(1→4)-β-D-galactopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Neotigogenin-3-O-β-D-glucopyranosyl(1→2)-β-D- glucopyranosyl(1→4)-β-D-galactopyranoside
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25691
Tcmbank
TCMBANKIN033819
Etcm Ingredient
Neotigogenin-3-O-β-D-glucopyranosyl(1→2)-β-D- glucopyranosyl(1→4)-β-D-galactopyranoside
Itcmdb Generated
ITX-INGREDIENT-39A4A883B093ITX-INGREDIENT-8F51E83EF544ITX-INGREDIENT-FEFA9F78986B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
白毛藤
Tcm Name2
BAI MAO TENG
Mol2 Path
/TCM_database/2007_3d_all/15464.mol2
Reference
2638
Tcm Name En
Bittersweet
Molecular Weight
902.490
Molecular Formula
C45H74O18
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.128