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
- 43200
- Core Entity Id
- 86211
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxyphenyl-beta-gentiobiside
- Name En
- Pubchem Id
- 73157131
- Smiles Canonical
- OCC1OC(OCC2OC(Oc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O
- Molecular Formula
- C18H26O12
- Molecular Weight
- 434.1400
- Inchikey
- OGLZRXDYSXDVNG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H26O12/c19-5-9-11(21)13(23)15(25)17(29-9)27-6-10-12(22)14(24)16(26)18(30-10)28-8-3-1-7(20)2-4-8/h1-4,9-26H,5-6H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.9000
- Num H Donors
- 8
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 199.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Hydroxyphenyl-beta-gentiobiside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-Hydroxyphenyl-beta-gentiobiside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
越橘叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUE JU YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cowberry Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4-hydroxyphenyl-β-gentiobioside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
越橘叶YUE JU YECowberry Leaf4-hydroxyphenyl-β-gentiobioside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010564
Tcmbank
TCMBANKIN010639TCMBANKIN058263
Etcm Ingredient
4-Hydroxyphenyl-beta-gentiobiside
Itcmdb Generated
ITX-INGREDIENT-30C9FA6CC1BDITX-INGREDIENT-583D42905574
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)Oc1(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)O2)c([H])c([H])c(O[H])c([H])c
1[H]
Tcm Name
越橘叶
Tcm Name2
YUE JU YE
Mol2 Path
/TCM_database/2003_3d_all/4151.mol2
Reference
6
Tcm Name En
Cowberry Leaf
Molecular Weight
434.140
Molecular Formula
C18H26O12
Molecular Formula
C18H26O12
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.219