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
- 1290
- Core Entity Id
- 4627
- Source Entity Count
- 1
- Preferred Name
- 2,6-di-o-methyl-d-galactopyranose
- Name En
- Pubchem Id
- 91699070
- Smiles Canonical
- COCC1C(C(C(C(O1)O)OC)O)O
- Molecular Formula
- C8H16O6
- Molecular Weight
- 208.2100
- Inchikey
- CJUQCEZPMNQPIV-CGRSDTJUSA-N
- Inchi
- InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7-,8?/m0/s1
- Isomeric Smiles
- COC[C@H]1[C@@H]([C@@H]([C@@H](C(O1)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.9132
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6-Di-O-methyl-d-galactopyranose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-di-o-methyl-d-galactopyranose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,6-di-o-methyl-d-galactopyranose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CJUQCEZPMNQPIV-CGRSDTJUSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
CJUQCEZPMNQPIV-CGRSDTJUSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CJUQCEZPMNQPIV-CGRSDTJUSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004940
Npass
NPC165340
Tcmid
41157
Pub Chem
91699070
Tcmbank
TCMBANKIN034966
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7-,8?/m0/s1
Mol Wt
208.21
Smiles
COCC1C(C(C(C(O1)O)OC)O)O
Mol Log P
-1.913199999999999
In Ch Ikey
CJUQCEZPMNQPIV-CGRSDTJUSA-N
Num Hdonors
3
Drug Likeness
0.501
Num Hacceptors
6
Isomeric Smiles
COC[C@H]1[C@@H]([C@@H]([C@@H](C(O1)O)OC)O)O
Canonical Smiles
COCC1C(C(C(C(O1)O)OC)O)O
Herb Alias Names
CJUQCEZPMNQPIV-CGRSDTJUSA-N
Molecular Weight
208.21 g/mol
Molecular Formula
C8H16O6
Molecular Formula
C8H16O6
Num Rotatable Bonds
3