Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 10Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27220
- Core Entity Id
- 33442
- Source Entity Count
- 1
- Preferred Name
- N-butyl-beta-d-fructopyronoside
- Name En
- N-Butyl-β-D-fructopyranoside
- Pubchem Id
- 129848631
- Smiles Canonical
- CCCCOC1(C(C(C(CO1)O)O)O)CO
- Molecular Formula
- C10H20O6
- Molecular Weight
- 237.2701
- Inchikey
- NAJPAGUETSZHOG-MTJFLKEFSA-N
- Inchi
- InChI=1S/C10H20O6/c1-2-3-4-15-10(6-11)9(14)8(13)7(12)5-16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10?/m1/s1/i3D/t3?,7-,8-,9+,10?
- Isomeric Smiles
- [2H]C(CC)COC1([C@H]([C@@H]([C@@H](CO1)O)O)O)CO
- Cas Id
- Ob Score
- 18.1660
- Mol Logp
- -1.3954
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-butyl-beta-d-fructopyronoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-butyl-beta-d-fructopyronoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
n-butyl-beta-d fructopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
n-butyl-beta-d fructopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
n-butyl-beta-d fructopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036445
Tcmsp
MOL001836
Sym Map
SMIT04190
Pub Chem
129848631
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H20O6/c1-2-3-4-15-10(6-11)9(14)8(13)7(12)5-16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10?/m1/s1/i3D/t3?,7-,8-,9+,10?
Mol Wt
237.270101778
Mol Log P
-1.3954
In Ch Ikey
NAJPAGUETSZHOG-MTJFLKEFSA-N
Ob Score
18.166
Num Hdonors
4
Drug Likeness
0.469
Num Hacceptors
6
Isomeric Smiles
[2H]C(CC)COC1([C@H]([C@@H]([C@@H](CO1)O)O)O)CO
Canonical Smiles
CCCCOC1(C(C(C(CO1)O)O)O)CO
Herb Alias Names
n-butyl-beta-d fructopyranoside
Molecular Formula
C10H20O6
Num Rotatable Bonds
5