Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31762
- Core Entity Id
- 38493
- Source Entity Count
- 1
- Preferred Name
- Resveratrol-4'-o-beta-d-glucoside
- Name En
- Pubchem Id
- 57397235
- Smiles Canonical
- C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)C3C(C(C(C(O3)CO)O)O)O)O
- Molecular Formula
- C20H22O8
- Molecular Weight
- 390.3880
- Inchikey
- ISYJYFWUXHMCFY-YQNXQPKHSA-N
- Inchi
- InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-11(7-13(23)8-14(16)24)4-1-10-2-5-12(22)6-3-10/h1-8,15,17-27H,9H2/b4-1-/t15-,17-,18+,19-,20+/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1/C=C\C2=C(C(=CC(=C2)O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4887
- Num H Donors
- 7
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Resveratrol-4'-o-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Resveratrol-4'-o-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
BDBM50362659
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50362659
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1939432
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1939432
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BDBM50362659CHEMBL1939432
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042118
Npass
NPC311293
Tcmid
18635
Sym Map
SMIT17434
Pub Chem
57397235
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-11(7-13(23)8-14(16)24)4-1-10-2-5-12(22)6-3-10/h1-8,15,17-27H,9H2/b4-1-/t15-,17-,18+,19-,20+/m1/s1
Mol Wt
390.3880000000001
Mol Log P
0.4887000000000006
In Ch Ikey
ISYJYFWUXHMCFY-YQNXQPKHSA-N
Num Hdonors
7
Drug Likeness
0.373
Num Hacceptors
8
Isomeric Smiles
C1=CC(=CC=C1/C=C\C2=C(C(=CC(=C2)O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)C3C(C(C(C(O3)CO)O)O)O)O
Herb Alias Names
CHEMBL1939432BDBM50362659
Molecular Formula
C20H22O8
Num Rotatable Bonds
4