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
- 7605
- Core Entity Id
- 11636
- Source Entity Count
- 1
- Preferred Name
- 6-galloylglucose
- Name En
- Pubchem Id
- 129633581
- Smiles Canonical
- C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O
- Molecular Formula
- C13H16O10
- Molecular Weight
- 332.2610
- Inchikey
- NFGQPAQBOQKAOR-ZEKXRDCQSA-N
- Inchi
- InChI=1S/C13H16O10/c14-3-7(17)10(20)12(22)13(23)11(21)8(18)4-1-5(15)9(19)6(16)2-4/h1-3,7,10-13,15-17,19-23H/t7-,10+,11?,12-,13+/m0/s1
- Isomeric Smiles
- C1=C(C=C(C(=C1O)O)O)C(=O)C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
- Cas Id
- 34781-46-9
- Ob Score
- Mol Logp
- -3.0105
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Galloylglucose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Galloylglucose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-galloylglucose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-galloylglucose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-galloylglucose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-7-oxo-7-(3,4,5-trihydroxyphenyl)heptanal
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-7-oxo-7-(3,4,5-trihydroxyphenyl)heptanal
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:192289
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:192289
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-7-oxo-7-(3,4,5-trihydroxyphenyl)heptanalCHEBI:192289
Cross References
Trusted external identifiers retained for this final record.
Cas
34781-46-9
Herb
HBIN012349
Npass
NPC125066
Tcmid
24471
Sym Map
SMIT02150
Tcm Id
7567
Pub Chem
129633581
Tcmbank
TCMBANKIN035232
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H16O10/c14-3-7(17)10(20)12(22)13(23)11(21)8(18)4-1-5(15)9(19)6(16)2-4/h1-3,7,10-13,15-17,19-23H/t7-,10+,11?,12-,13+/m0/s1
Mol Wt
332.261
Cas Id
34781-46-9
Smiles
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O
Mol Log P
-3.0105
Version
v1,v2
In Ch Ikey
NFGQPAQBOQKAOR-ZEKXRDCQSA-N
Suppress
0
Num Hdonors
8
Drug Likeness
0.145
Num Hacceptors
10
Isomeric Smiles
C1=C(C=C(C(=C1O)O)O)C(=O)C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
Canonical Smiles
C1=C(C=C(C(=C1O)O)O)C(=O)C(C(C(C(C(C=O)O)O)O)O)O
Herb Alias Names
CHEBI:192289(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-7-oxo-7-(3,4,5-trihydroxyphenyl)heptanal
Molecular Weight
332.26
Molecule Formula
C13H16O10
Molecular Formula
C13H16O10
Molecular Formula
C13H16O10
Num Rotatable Bonds
7