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
- 2347
- Core Entity Id
- 5796
- Source Entity Count
- 1
- Preferred Name
- 2'-o-beta-d-glucopyranosylsalicin
- Name En
- Pubchem Id
- 10884825
- Smiles Canonical
- C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C19H28O12
- Molecular Weight
- 448.4210
- Inchikey
- ZKRVJIHIVQZIPH-UELUTJGDSA-N
- Inchi
- InChI=1S/C19H28O12/c20-5-8-3-1-2-4-9(8)28-19-17(15(26)13(24)11(7-22)30-19)31-18-16(27)14(25)12(23)10(6-21)29-18/h1-4,10-27H,5-7H2/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19-/m1/s1
- Isomeric Smiles
- C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.8182
- Num H Donors
- 8
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-O--beta-D-Glucopyranosylsalicin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2'-o-beta-d-glucopyranosylsalicin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2'-o-beta-d-glucopyranosylsalicin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2'-O--beta-D-Glucopyranosylsalicin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006201
Tcmid
8730
Pub Chem
10884825
Etcm Ingredient
2'-O--beta-D-Glucopyranosylsalicin
Itcmdb Generated
ITX-INGREDIENT-1FD8B2FBFC40
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H28O12/c20-5-8-3-1-2-4-9(8)28-19-17(15(26)13(24)11(7-22)30-19)31-18-16(27)14(25)12(23)10(6-21)29-18/h1-4,10-27H,5-7H2/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19-/m1/s1
Mol Wt
448.4210000000001
Mol Log P
-3.818199999999996
In Ch Ikey
ZKRVJIHIVQZIPH-UELUTJGDSA-N
Num Hdonors
8
Drug Likeness
0.203
Num Hacceptors
12
Isomeric Smiles
C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Weight
448.160
Molecular Formula
C19H28O12
Molecular Formula
C19H28O12
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.203