Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12687
- Core Entity Id
- 17273
- Source Entity Count
- 1
- Preferred Name
- Bidensyneoside c
- Name En
- Pubchem Id
- 10936789
- Smiles Canonical
- C(COC1C(C(C(C(O1)CO)O)O)O)C(C#CC#CC=CCO)O
- Molecular Formula
- C16H22O8
- Molecular Weight
- 342.3440
- Inchikey
- TZGLJFHSHFYCQU-OHIHAZEWSA-N
- Inchi
- InChI=1S/C16H22O8/c17-8-5-3-1-2-4-6-11(19)7-9-23-16-15(22)14(21)13(20)12(10-18)24-16/h3,5,11-22H,7-10H2/b5-3+/t11-,12+,13+,14-,15+,16+/m0/s1
- Isomeric Smiles
- C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C#CC#C/C=C/CO)O
- Cas Id
- Ob Score
- Mol Logp
- -2.8908
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bidensyneoside C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Bidensyneoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bidensyneoside C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Bidensyneoside C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bidensyneoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bidensyneoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
鬼针草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUI ZHEN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Beggarticks
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鬼针草GUI ZHEN CAOBeggarticks
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018481
Npass
NPC236559
Tcmid
2362
Sym Map
SMIT14469
Pub Chem
10936789
Tcmbank
TCMBANKIN037415
Etcm Ingredient
Bidensyneoside C
Itcmdb Generated
ITX-INGREDIENT-CBC56F51ED54
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H22O8/c17-8-5-3-1-2-4-6-11(19)7-9-23-16-15(22)14(21)13(20)12(10-18)24-16/h3,5,11-22H,7-10H2/b5-3+/t11-,12+,13+,14-,15+,16+/m0/s1
Mol Wt
342.3440000000001
Mol Log P
-2.890799999999996
Version
v1,v2
In Ch Ikey
TZGLJFHSHFYCQU-OHIHAZEWSA-N
Suppress
0
Tcm Name
鬼针草
Tcm Name2
GUI ZHEN CAO
Mol2 Path
/TCM_database/2007_3d_all/02362.mol2
Reference
4105, 4275
Num Hdonors
6
Tcm Name En
Beggarticks
Drug Likeness
0.283
Num Hacceptors
8
Isomeric Smiles
C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C#CC#C/C=C/CO)O
Canonical Smiles
C(COC1C(C(C(C(O1)CO)O)O)O)C(C#CC#CC=CCO)O
Molecular Weight
342.130
Molecular Weight
342.34 g/mol
Molecule Formula
C16H22O8
Molecular Formula
C16H22O8
Molecular Formula
C16H22O8
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.283