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
- 2476
- Core Entity Id
- 5939
- Source Entity Count
- 1
- Preferred Name
- (2r)-1-o-glyceryl-beta-d-galactoside
- Name En
- Pubchem Id
- 101612205
- Smiles Canonical
- C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O
- Molecular Formula
- C9H18O8
- Molecular Weight
- 254.2350
- Inchikey
- NHJUPBDCSOGIKX-ZKMHSNTISA-N
- Inchi
- InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5+,6-,7-,8+,9-/m0/s1
- Isomeric Smiles
- C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H](CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.8439
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2r)-1-o-glyceryl-beta-d-galactoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r)-1-o-glyceryl-beta-d-galactoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006359
Npass
NPC277983
Tcmid
8812
Pub Chem
101612205
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5+,6-,7-,8+,9-/m0/s1
Mol Wt
254.235
Mol Log P
-3.843899999999998
In Ch Ikey
NHJUPBDCSOGIKX-ZKMHSNTISA-N
Num Hdonors
6
Drug Likeness
0.293
Num Hacceptors
8
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H](CO)O)O)O)O)O
Canonical Smiles
C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O
Molecular Formula
C9H18O8
Num Rotatable Bonds
5