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
- 7888
- Core Entity Id
- 11942
- Source Entity Count
- 1
- Preferred Name
- 6-o-galloylarbutin
- Name En
- Pubchem Id
- 3083924
- Smiles Canonical
- C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
- Molecular Formula
- C19H20O11
- Molecular Weight
- 424.3580
- Inchikey
- KPFBMNKCSZQESS-WIMVFMHDSA-N
- Inchi
- InChI=1S/C19H20O11/c20-9-1-3-10(4-2-9)29-19-17(26)16(25)15(24)13(30-19)7-28-18(27)8-5-11(21)14(23)12(22)6-8/h1-6,13,15-17,19-26H,7H2/t13-,15-,16+,17-,19-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4476
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-O-galloylarbutin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-o-galloylarbutin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-o-galloylarbutin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-Hydroxyphenyl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxyphenyl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
5991-00-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
5991-00-4
Role
alias
Source
HERB_v2
Preferred
No
Name
6-O-Galloyl arbutin
Role
alias
Source
HERB_v2
Preferred
No
Name
6-O-Galloyl arbutin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-o-galloylarbutin
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID10975331
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10975331
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, 4-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, 4-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arbutin; 6-o-(3,4,5-trihydroxybenzoyl)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
arbutin; 6-o-(3,4,5-trihydroxybenzoyl)
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
4-Hydroxyphenyl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside5991-00-46-O-Galloyl arbutinDTXSID10975331beta-D-Glucopyranoside, 4-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)Arbutin; 6-o-(3,4,5-trihydroxybenzoyl)
Cross References
Trusted external identifiers retained for this final record.
Cas
5991-00-4
Herb
HBIN012681HBIN016602
Npass
NPC221211
Tcmid
3810738293
Tcm Id
194272143175236711
Pub Chem
3083924
Tcmbank
TCMBANKIN033320TCMBANKIN008983
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H20O11/c20-9-1-3-10(4-2-9)29-19-17(26)16(25)15(24)13(30-19)7-28-18(27)8-5-11(21)14(23)12(22)6-8/h1-6,13,15-17,19-26H,7H2/t13-,15-,16+,17-,19-/m1/s1
Mol Wt
424.3580000000001
Smiles
C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
Mol Log P
-0.4476000000000004
In Ch Ikey
KPFBMNKCSZQESS-WIMVFMHDSA-N
Num Hdonors
7
Drug Likeness
0.243
Num Hacceptors
11
Isomeric Smiles
C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
Herb Alias Names
6-O-Galloyl arbutin5991-00-4beta-D-Glucopyranoside, 4-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)DTXSID109753314-Hydroxyphenyl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside
Molecular Weight
424.4 g/mol
Molecular Formula
C19H20O11
Molecular Formula
C19H20O11
Num Rotatable Bonds
5