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
- 13241
- Core Entity Id
- 17885
- Source Entity Count
- 1
- Preferred Name
- Butyl--d--glucopyranoside
- Name En
- Pubchem Id
- 11107340
- Smiles Canonical
- CCCCOC1C(C(C(C(O1)CO)O)O)O
- Molecular Formula
- C10H20O6
- Molecular Weight
- 236.2640
- Inchikey
- BZANQLIRVMZFOS-ZKZCYXTQSA-N
- Inchi
- InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10?/m1/s1
- Isomeric Smiles
- CCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.3970
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Butyl--D-- Glucopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Butyl--D-- glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Butyl--d--glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Butyl--d--glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
31387-97-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
31387-97-0
Role
alias
Source
HERB_v2
Preferred
No
Name
BZANQLIRVMZFOS-ZKZCYXTQSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
BZANQLIRVMZFOS-ZKZCYXTQSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Butyl D-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Butyl D-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Glucopyranoside, butyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Glucopyranoside, butyl
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID00107806
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID00107806
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90185315
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90185315
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 250-608-7
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 250-608-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL93660
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL93660
Role
alias
Source
itcmdb_public
Preferred
No
Name
W-110798
Role
alias
Source
HERB_v2
Preferred
No
Name
W-110798
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-butyl d-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
n-butyl d-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Butyl--D-- Glucopyranoside31387-97-0BZANQLIRVMZFOS-ZKZCYXTQSA-NButyl D-glucosideD-Glucopyranoside, butylDTXCID00107806DTXSID90185315EINECS 250-608-7SCHEMBL93660W-110798n-butyl d-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019125
Npass
NPC20938
Tcmid
39096
Sym Map
SMIT22734
Pub Chem
11107340
Tcmbank
TCMBANKIN005593TCMBANKIN061217
Itcmdb Generated
ITX-INGREDIENT-65E56D9FCE3F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10?/m1/s1
Mol Wt
236.264
Smiles
CCCCOC1C(C(C(C(O1)CO)O)O)O
Mol Log P
-1.397
Version
v2
In Ch Ikey
BZANQLIRVMZFOS-ZKZCYXTQSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.438
Num Hacceptors
6
Isomeric Smiles
CCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Canonical Smiles
CCCCOC1C(C(C(C(O1)CO)O)O)O
Herb Alias Names
Butyl D-glucoside31387-97-0D-Glucopyranoside, butylEINECS 250-608-7DTXSID90185315n-butyl d-glucopyranosideSCHEMBL93660DTXCID00107806BZANQLIRVMZFOS-ZKZCYXTQSA-NW-110798
Molecular Weight
236.26 g/mol
Molecular Formula
C10H20O6
Molecular Formula
C10H20O6
Num Rotatable Bonds
5