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
- 3565
- Core Entity Id
- 7149
- Source Entity Count
- 1
- Preferred Name
- 3,5-dihydroxyphenethyl alcohol 3-o-beta-gluco-pyranoside
- Name En
- Pubchem Id
- 11290035
- Smiles Canonical
- C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)CCO
- Molecular Formula
- C14H20O8
- Molecular Weight
- 316.3060
- Inchikey
- VQRDMNHWADLITK-RKQHYHRCSA-N
- Inchi
- InChI=1S/C14H20O8/c15-2-1-7-3-8(17)5-9(4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h3-5,10-20H,1-2,6H2/t10-,11-,12+,13-,14-/m1/s1
- Isomeric Smiles
- C1=C(C=C(C=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCO
- Cas Id
- Ob Score
- Mol Logp
- -1.8943
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-dihydroxyphenethyl alcohol 3-o-beta-gluco-pyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5-dihydroxyphenethyl alcohol 3-o-beta-gluco-pyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-(2-hydroxyethyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
791846-69-0
Role
alias
Source
HERB_v2
Preferred
No
Name
791846-69-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2335277
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2335277
Role
alias
Source
itcmdb_public
Preferred
No
Name
Grevilloside G
Role
alias
Source
HERB_v2
Preferred
No
Name
Grevilloside G
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-(2-hydroxyethyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol791846-69-0CHEMBL2335277Grevilloside G
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007630
Npass
NPC16680
Tcmid
6073
Pub Chem
11290035
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H20O8/c15-2-1-7-3-8(17)5-9(4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h3-5,10-20H,1-2,6H2/t10-,11-,12+,13-,14-/m1/s1
Mol Wt
316.3060000000001
Mol Log P
-1.8943
In Ch Ikey
VQRDMNHWADLITK-RKQHYHRCSA-N
Num Hdonors
6
Drug Likeness
0.37
Num Hacceptors
8
Isomeric Smiles
C1=C(C=C(C=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCO
Canonical Smiles
C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)CCO
Herb Alias Names
Grevilloside G(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-(2-hydroxyethyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolCHEMBL2335277791846-69-0
Molecular Formula
C14H20O8
Num Rotatable Bonds
5