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
- 49084
- Core Entity Id
- 92095
- Source Entity Count
- 1
- Preferred Name
- agrimonolide 6-O-glucoside
- Name En
- Pubchem Id
- 162894299
- Smiles Canonical
- COc1ccc(CC[C@H]2Cc3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C(=O)O2)cc1
- Molecular Formula
- C24H28O10
- Molecular Weight
- 476.0000
- Inchikey
- GTNBYGORCDLAFG-DHNKXOLASA-N
- Inchi
- InChI=1S/C24H28O10/c1-31-14-5-2-12(3-6-14)4-7-15-8-13-9-16(10-17(26)19(13)23(30)32-15)33-24-22(29)21(28)20(27)18(11-25)34-24/h2-3,5-6,9-10,15,18,20-22,24-29H,4,7-8,11H2,1H3/t15-,18+,20+,21-,22+,24-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 155.0000
- Molecular Volume
- 299.0000
- Alogp
- 2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
agrimonolide 6-O-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
agrimonolide 6-O-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
鹤草芽
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Agrimonia pilosa
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
18.驱虫药(9-9)
Role
level1_name
Source
TCMBank
Preferred
No
Name
worm-expelling medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鹤草芽Agrimonia pilosa18.驱虫药(9-9)worm-expelling medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN030441
Etcm Ingredient
agrimonolide 6-O-glucoside
Itcmdb Generated
ITX-INGREDIENT-4ACF0A93EF0BITX-INGREDIENT-7B3452FA9A02
Attributes
Merged source attributes and domain-specific metadata.
Alog P
2
Smiles
c1(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c([H])c(C([H])([H])[C@]([H])(C([H])([H])C([H])([H])c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])OC4=O)c4c(O[H])c
1[H]
37 Flag
37
C Count
24
N Count
0
O Count
10
P Count
0
S Count
0
Tcm Name
鹤草芽
Mol2 Path
/TCM_database/18.驱虫药(9-9)/鹤草芽/3D/agrimonolide 6-O-glucoside.mol2
Tcm Name En
Agrimonia pilosa
Level1 Name
18.驱虫药(9-9)
Num H Donors
5
Level1 Name En
worm-expelling medicinal
Num H Acceptors
10
Molecular Weight
476.170
Molecular Volume
299
Molecular Weight
476
Molecular Formula
C24H28O10
Molecular Formula
C24H28O10
Num Rotatable Bonds
7
Molecular Polar Surface Area
155
Fda Maximum Daily Dose (Fdamdd)
0.852
Quantitative Estimate Of Drug Likeness（Qed）
0.352