Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10592
- Core Entity Id
- 14935
- Source Entity Count
- 1
- Preferred Name
- Amg
- Name En
- Pubchem Id
- 2724703
- Smiles Canonical
- COC1C(C(C(C(O1)CO)O)O)O.O
- Molecular Formula
- C7H14O6
- Molecular Weight
- 194.1830
- Inchikey
- HOVAGTYPODGVJG-PZRMXXKTSA-N
- Inchi
- InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
- Isomeric Smiles
- CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
- Cas Id
- 34004-14-3
- Ob Score
- 40.6910
- Mol Logp
- -2.5673
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Amg
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
AMG
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Amg
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Amg
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Amg
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5R,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
1-o-methyl-alpha-d-galactopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-o-methyl-alpha-d-galactopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3396-99-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
3396-99-4
Role
alias
Source
HERB_v2
Preferred
No
Name
34004-14-3
Role
alias
Source
TCMBank
Preferred
No
Name
66916_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
ALPHA-METHYL-D-GALACTOSIDE
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 222-251-7
Role
alias
Source
TCMBank
Preferred
No
Name
M1379_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Me-alpha-Gal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Me-alpha-Gal
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl alpha-D-galactopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl alpha-D-galactopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl alpha-D-galactoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl alpha-D-galactoside
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl alpha-D-galactoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl alpha-galactoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl alpha-galactoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl-alpha-D-galactopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC04262102
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-methyl-d-galactoside
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-methyl-d-galactoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-methylgalactoside
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-methylgalactoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol(2S,3R,4S,5R,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol1-o-methyl-alpha-d-galactopyranoside3396-99-434004-14-366916_FLUKAALPHA-METHYL-D-GALACTOSIDEEINECS 222-251-7M1379_SIGMAMe-alpha-GalMethyl alpha-D-galactopyranosideMethyl alpha-D-galactosideMethyl alpha-galactosideMethyl-alpha-D-galactopyranosideZINC04262102alpha-methylgalactoside
Cross References
Trusted external identifiers retained for this final record.
Cas
34004-14-3
Herb
HBIN015849
Tcmsp
MOL005180
Sym Map
SMIT06976
Pub Chem
272470376935
Tcmbank
TCMBANKIN016238
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
Mol Wt
194.183
Cas Id
34004-14-3
Smiles
COC1C(C(C(C(O1)CO)O)O)O.O
Mol Log P
-2.567299999999999
Version
v1,v2
In Ch Ikey
HOVAGTYPODGVJG-PZRMXXKTSA-N
Ob Score
40.69140.69115340.69115338
Suppress
0
Num Hdonors
4
Drug Likeness
0.386
Num Hacceptors
6
Isomeric Smiles
CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Molecule Weight
194.21
Canonical Smiles
COC1C(C(C(C(O1)CO)O)O)O
Herb Alias Names
3396-99-4Methyl alpha-D-galactopyranosideMethyl-alpha-D-galactopyranoside(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triolalpha-methyl-d-galactosidealpha-methylgalactosideMe-alpha-GalMethyl alpha-D-galactoside1-o-methyl-alpha-d-galactopyranosideMethyl alpha-galactoside
Molecular Weight
212.2 g/mol
Molecular Formula
C7H16O7
Molecular Formula
C7H14O6
Num Rotatable Bonds
2