Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 2Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65990
- Core Entity Id
- 128639
- Source Entity Count
- 1
- Preferred Name
- 1,2,3,6-Tetra-O-galloyl-B-D-glucose
- Name En
- Pubchem Id
- 73178
- Smiles Canonical
- C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
- Molecular Formula
- C34H28O22
- Molecular Weight
- 788.1100
- Inchikey
- RATQVALKDAUZBW-XPMKZLBQSA-N
- Inchi
- InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.5000
- Num H Donors
- 13
- Num H Acceptors
- 22
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 377.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2,3,6-Tetra-O-galloyl-B-D-glucose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2,3,6-Tetra-O-galloyl-B-D-glucose
Itcmdb Generated
ITX-INGREDIENT-0294E15990D1
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
788.110
Molecular Formula
C34H28O22
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.063