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
- 12686
- Core Entity Id
- 17272
- Source Entity Count
- 1
- Preferred Name
- Bidensyneoside b
- Name En
- Pubchem Id
- 10892676
- Smiles Canonical
- CC#CC#CC#CC(CCOC1C(C(C(C(O1)CO)O)O)O)O
- Molecular Formula
- C16H20O7
- Molecular Weight
- 324.3290
- Inchikey
- LYJPHLDIYOZDLR-RCZWDNKTSA-N
- Inchi
- InChI=1S/C16H20O7/c1-2-3-4-5-6-7-11(18)8-9-22-16-15(21)14(20)13(19)12(10-17)23-16/h11-21H,8-10H2,1H3/t11-,12+,13+,14-,15+,16+/m0/s1
- Isomeric Smiles
- CC#CC#CC#C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.4160
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bidensyneoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bidensyneoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Bidensyneoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bidensyneoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
小花鬼针
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO HUA GUI ZHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Smallflower Beggarticks
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小花鬼针XIAO HUA GUI ZHENSmallflower Beggarticks
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018480
Npass
NPC41027
Tcmid
2361
Pub Chem
10892676
Tcmbank
TCMBANKIN044903
Etcm Ingredient
Bidensyneoside B
Itcmdb Generated
ITX-INGREDIENT-A51DAC038C4A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H20O7/c1-2-3-4-5-6-7-11(18)8-9-22-16-15(21)14(20)13(19)12(10-17)23-16/h11-21H,8-10H2,1H3/t11-,12+,13+,14-,15+,16+/m0/s1
Mol Wt
324.329
Mol Log P
-2.415999999999999
In Ch Ikey
LYJPHLDIYOZDLR-RCZWDNKTSA-N
Tcm Name
小花鬼针
Tcm Name2
XIAO HUA GUI ZHEN
Mol2 Path
/TCM_database/2007_3d_all/02361.mol2
Reference
4105
Num Hdonors
5
Tcm Name En
Smallflower Beggarticks
Drug Likeness
0.357
Num Hacceptors
7
Isomeric Smiles
CC#CC#CC#C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Canonical Smiles
CC#CC#CC#CC(CCOC1C(C(C(C(O1)CO)O)O)O)O
Molecular Weight
324.120
Molecular Weight
324.32 g/mol
Molecular Formula
C16H20O7
Molecular Formula
C16H20O7
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.935
Quantitative Estimate Of Drug Likeness（Qed）
0.357