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
- 8616
- Core Entity Id
- 12747
- Source Entity Count
- 1
- Preferred Name
- (7s,8s)-syringoylglycerol9-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 44577288
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)O
- Molecular Formula
- C17H26O11
- Molecular Weight
- 406.3840
- Inchikey
- AAZJIDQNEUWCEO-FOWLYOOKSA-N
- Inchi
- InChI=1S/C17H26O11/c1-25-8-3-7(4-9(26-2)13(8)21)12(20)10(5-18)27-17-16(24)15(23)14(22)11(6-19)28-17/h3-4,10-12,14-24H,5-6H2,1-2H3/t10-,11+,12-,14+,15-,16+,17+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)[C@@H]([C@H](CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3798
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(7s,8s)-syringoylglycerol9-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(7s,8s)-syringoylglycerol9-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL466928
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL466928
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL466928
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013482
Npass
NPC107478
Tcmid
20555
Pub Chem
44577288
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H26O11/c1-25-8-3-7(4-9(26-2)13(8)21)12(20)10(5-18)27-17-16(24)15(23)14(22)11(6-19)28-17/h3-4,10-12,14-24H,5-6H2,1-2H3/t10-,11+,12-,14+,15-,16+,17+/m0/s1
Mol Wt
406.3840000000001
Mol Log P
-2.379799999999999
In Ch Ikey
AAZJIDQNEUWCEO-FOWLYOOKSA-N
Num Hdonors
7
Drug Likeness
0.245
Num Hacceptors
11
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)[C@@H]([C@H](CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)O
Herb Alias Names
CHEMBL466928
Molecular Formula
C17H26O11
Num Rotatable Bonds
8