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
- 30361
- Core Entity Id
- 36933
- Source Entity Count
- 1
- Preferred Name
- Polygalolide b
- Name En
- Pubchem Id
- 101239053
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C=C2C3C45COC(=O)C4(CCO3)CC(C2=O)O5
- Molecular Formula
- C20H20O8
- Molecular Weight
- 388.3720
- Inchikey
- TUVALGATKQAMFP-ADCCBGADSA-N
- Inchi
- InChI=1S/C20H20O8/c1-24-12-6-10(7-13(25-2)16(12)22)5-11-15(21)14-8-19-3-4-26-17(11)20(19,28-14)9-27-18(19)23/h5-7,14,17,22H,3-4,8-9H2,1-2H3/t14?,17-,19+,20+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)C=C2[C@H]3[C@]45COC(=O)[C@@]4(CCO3)CC(C2=O)O5
- Cas Id
- Ob Score
- Mol Logp
- 1.2353
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Polygalolide B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Polygalolide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Polygalolide b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
假黄花远志
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIA HUANG HUA YUAN ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Fasle Yellowflower Milkwort*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
假黄花远志JIA HUANG HUA YUAN ZHIFasle Yellowflower Milkwort*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040423
Npass
NPC187656
Tcmid
17624
Pub Chem
101239053
Tcmbank
TCMBANKIN043451
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O8/c1-24-12-6-10(7-13(25-2)16(12)22)5-11-15(21)14-8-19-3-4-26-17(11)20(19,28-14)9-27-18(19)23/h5-7,14,17,22H,3-4,8-9H2,1-2H3/t14?,17-,19+,20+/m0/s1
Mol Wt
388.3720000000002
Mol Log P
1.2353
In Ch Ikey
TUVALGATKQAMFP-ADCCBGADSA-N
Tcm Name
假黄花远志
Tcm Name2
JIA HUANG HUA YUAN ZHI
Mol2 Path
/TCM_database/2007_3d_all/17638.mol2
Reference
4683
Num Hdonors
1
Tcm Name En
Fasle Yellowflower Milkwort*
Drug Likeness
0.61
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)C=C2[C@H]3[C@]45COC(=O)[C@@]4(CCO3)CC(C2=O)O5
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C=C2C3C45COC(=O)C4(CCO3)CC(C2=O)O5
Molecular Weight
388.4 g/mol
Molecular Formula
C20H20O8
Num Rotatable Bonds
3