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
- 20554
- Core Entity Id
- 26029
- Source Entity Count
- 1
- Preferred Name
- Glyyunnanprosapogenin a
- Name En
- Pubchem Id
- 163086059
- Smiles Canonical
- C[C@@]1(C(=O)O)CC[C@]2(C)C(=O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1
- Molecular Formula
- C30H46O5
- Molecular Weight
- 486.3300
- Inchikey
- JLSMRQKPAPRPMB-ATGSHGRSSA-N
- Inchi
- InChI=1S/C30H46O5/c1-25(24(34)35)13-14-26(2)19(15-25)18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-29(21,5)30(18,6)16-23(26)33/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21-,22-,25-,26+,27-,28-,29-,30-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.0000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 94.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glyyunnanprosapogenin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glyyunnanprosapogenin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glyyunnanprosapogenin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glyyunnanprosapogenin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
云南甘草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Licorice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南甘草YUN NAN GAN CAOYunnan Licorice
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028207
Tcmid
25648
Tcmbank
TCMBANKIN039846
Etcm Ingredient
Glyyunnanprosapogenin A
Itcmdb Generated
ITX-INGREDIENT-0087AEF02389
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])[C@@](C(=O)O[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C(=O)C3([H])[H])[C@@]34C([
H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])[C@@](C([H])([H])[H])(C([H])([H])O[H])[C@]1([H])O[H]
Tcm Name
云南甘草
Tcm Name2
YUN NAN GAN CAO
Mol2 Path
/TCM_database/2003_3d_all/3512.mol2
Reference
160
Tcm Name En
Yunnan Licorice
Molecular Weight
486.330
Molecular Formula
C30H46O5
Molecular Formula
C30H46O5
Molecular Formula
C30H46O5
Fda Maximum Daily Dose (Fdamdd)
0.294
Quantitative Estimate Of Drug Likeness（Qed）
0.455