Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8595
- Core Entity Id
- 12723
- Source Entity Count
- 1
- Preferred Name
- (-)-(7r,8s)-guaiacylglycerol 8-o-beta-dglucopyranoside
- Name En
- Pubchem Id
- 24862424
- Smiles Canonical
- COC1=C(C=CC(=C1)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
- Molecular Formula
- C16H24O10
- Molecular Weight
- 376.3580
- Inchikey
- UKYKCLFPJXHNON-VLUPQUSQSA-N
- Inchi
- InChI=1S/C16H24O10/c1-24-9-4-7(2-3-8(9)19)12(20)10(5-17)25-16-15(23)14(22)13(21)11(6-18)26-16/h2-4,10-23H,5-6H2,1H3/t10-,11+,12+,13+,14-,15+,16+/m0/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)[C@H]([C@H](CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3884
- Num H Donors
- 7
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-(7r,8s)-guaiacylglycerol 8-o-beta-dglucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-(7r,8s)-guaiacylglycerol 8-o-beta-dglucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
CHEMBL466729
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL466729
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL466729
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013459
Npass
NPC248307
Tcmid
41993
Pub Chem
24862424
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H24O10/c1-24-9-4-7(2-3-8(9)19)12(20)10(5-17)25-16-15(23)14(22)13(21)11(6-18)26-16/h2-4,10-23H,5-6H2,1H3/t10-,11+,12+,13+,14-,15+,16+/m0/s1
Mol Wt
376.3580000000001
Mol Log P
-2.388399999999999
In Ch Ikey
UKYKCLFPJXHNON-VLUPQUSQSA-N
Num Hdonors
7
Drug Likeness
0.272
Num Hacceptors
10
Isomeric Smiles
COC1=C(C=CC(=C1)[C@H]([C@H](CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Herb Alias Names
CHEMBL466729
Molecular Formula
C16H24O10
Num Rotatable Bonds
7