IngredientID 40325
3-O-Β-D-Galactopyranosyl-(1→2)-Β-D-Glucuro-Nopyranosyl-Gypsogenin-28-O-Β-D-Xylopyra-Nosyl(1→4)-[Β-D-6-O-Acetylglucopyranosyl(1→3)]-Α-L-Rhamnopyranosyl(1→2)-Β-D-Fucopyranoside
C67H104O33
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
- 40325
- Core Entity Id
- 83336
- Source Entity Count
- 1
- Preferred Name
- 3-O-Β-D-Galactopyranosyl-(1→2)-Β-D-Glucuro-Nopyranosyl-Gypsogenin-28-O-Β-D-Xylopyra-Nosyl(1→4)-[Β-D-6-O-Acetylglucopyranosyl(1→3)]-Α-L-Rhamnopyranosyl(1→2)-Β-D-Fucopyranoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C67H104O33
- Molecular Weight
- 1436.6500
- 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-Β-D-Galactopyranosyl-(1→2)-Β-D-Glucuro-Nopyranosyl-Gypsogenin-28-O-Β-D-Xylopyra-Nosyl(1→4)-[Β-D-6-O-Acetylglucopyranosyl(1→3)]-Α-L-Rhamnopyranosyl(1→2)-Β-D-Fucopyranoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-O-Β-D-Galactopyranosyl-(1→2)-Β-D-Glucuro-Nopyranosyl-Gypsogenin-28-O-Β-D-Xylopyra-Nosyl(1→4)-[Β-D-6-O-Acetylglucopyranosyl(1→3)]-Α-L-Rhamnopyranosyl(1→2)-Β-D-Fucopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-O-β-D-Galactopyranosyl-(1→2)-β-D-glucuronopyranosyl-gypso-genin-28-O-β-D-xylopyranosyl(1→4)-[β-D-6-O-acetylglucopy-ranosyl (1→3)]-α-L-rhamnopyranosyl(1→2)-β-D-fucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-O-β-D-Galactopyranosyl-(1→2)-β-D-glucuronopyranosyl-gypso-genin-28-O-β-D-xylopyranosyl(1→4)-[β-D-6-O-acetylglucopy-ranosyl (1→3)]-α-L-rhamnopyranosyl(1→2)-β-D-fucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
金铁锁
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN TIE SUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tuniclike Psammosilene
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-O-β-D-Galactopyranosyl-(1→2)-β-D-glucuronopyranosyl-gypso-genin-28-O-β-D-xylopyranosyl(1→4)-[β-D-6-O-acetylglucopy-ranosyl (1→3)]-α-L-rhamnopyranosyl(1→2)-β-D-fucopyranoside金铁锁JIN TIE SUOTuniclike Psammosilene
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21275
Tcmbank
TCMBANKIN000634TCMBANKIN012812
Etcm Ingredient
3-O-β-D-Galactopyranosyl-(1→2)-β-D-glucuronopyranosyl-gypso-genin-28-O-β-D-xylopyranosyl(1→4)-[β-D-6-O-acetylglucopy-ranosyl (1→3)]-α-L-rhamnopyranosyl(1→2)-β-D-fucopyranoside
Itcmdb Generated
ITX-INGREDIENT-7EE38542B6EDITX-INGREDIENT-CFC72D075EDBITX-INGREDIENT-E1D28969B4EB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
金铁锁
Tcm Name2
JIN TIE SUO
Mol2 Path
/TCM_database/2007_3d_all/08058.mol2
Reference
226
Tcm Name En
Tuniclike Psammosilene
Molecular Weight
1436.650
Molecular Formula
C67H104O33
Molecular Formula
C67H104O33
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.029