Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23275
- Core Entity Id
- 29055
- Source Entity Count
- 1
- Preferred Name
- Juglanoside b
- Name En
- Pubchem Id
- 21577028
- Smiles Canonical
- C1CC(=O)C2=C(C1OC3C(C(C(C(O3)CO)O)O)O)C(=CC=C2)O
- Molecular Formula
- C16H20O8
- Molecular Weight
- 340.3280
- Inchikey
- QTXYTEQMJMZIBS-YARPKSRZSA-N
- Inchi
- InChI=1S/C16H20O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-5-4-8(18)7-2-1-3-9(19)12(7)10/h1-3,10-11,13-17,19-22H,4-6H2/t10-,11+,13+,14-,15+,16+/m0/s1
- Isomeric Smiles
- C1CC(=O)C2=C([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=CC=C2)O
- Cas Id
- Ob Score
- Mol Logp
- -0.7737
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Juglanoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Juglanoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Juglanoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Juglanoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
东北胡桃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DONG BEI HU TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Northeast Walnut*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
东北胡桃DONG BEI HU TAONortheast Walnut*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031577
Npass
NPC92877
Tcmid
11896
Pub Chem
21577028
Tcmbank
TCMBANKIN042456
Etcm Ingredient
Juglanoside B
Itcmdb Generated
ITX-INGREDIENT-FCB9B531C76F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H20O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-5-4-8(18)7-2-1-3-9(19)12(7)10/h1-3,10-11,13-17,19-22H,4-6H2/t10-,11+,13+,14-,15+,16+/m0/s1
Mol Wt
340.328
Mol Log P
-0.7737
In Ch Ikey
QTXYTEQMJMZIBS-YARPKSRZSA-N
Tcm Name
东北胡桃
Tcm Name2
DONG BEI HU TAO
Mol2 Path
/TCM_database/2007_3d_all/11899.mol2
Reference
4285
Num Hdonors
5
Tcm Name En
Northeast Walnut*
Drug Likeness
0.484
Num Hacceptors
8
Isomeric Smiles
C1CC(=O)C2=C([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=CC=C2)O
Canonical Smiles
C1CC(=O)C2=C(C1OC3C(C(C(C(O3)CO)O)O)O)C(=CC=C2)O
Molecular Weight
340.120
Molecular Weight
340.32 g/mol
Molecular Formula
C16H20O8
Molecular Formula
C16H20O8
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.484