1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside
1,3,4,6-四没食子酰葡萄糖
PHY-NP-01641 · Natural product research catalog
| Catalog number | PHY-NP-01641 |
|---|---|
| CAS number | 26922-99-6 |
| Molecular formula | C34H28O22 |
| Molecular weight | 788.576 g/mol |
| Chemical class | Tannins |
| Purity / assay | Confirmed in quotation and batch COA |
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| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
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Product information
1,3,4,6-Tetra-O-Galloyl-Beta-D-Glucopyranoside is listed in the Tannins section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | [(2R,3R,4R,5R,6S)-5-hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChIKey | NRQJFEDEWHTAPZ-UGUGPVJNSA-N |
| Subclass / scaffold | 没食子酰×4 |
| PubChem CID | 471531 |
Computed properties & structure classification
| Exact mass (Da) | 788.1072 | Predicted LogP | 0.7046 |
|---|---|---|---|
| Predicted TPSA (Ų) | 377.42 | H-bond donors | 13 |
| H-bond acceptors | 22 | Rotatable bonds | 9 |
| Ring count | 5 | Aromatic rings | 4 |
| Fraction Csp³ | 0.176 | Synthetic accessibility score | 4.53 |
| QED score | 0.063 | Lipinski rule violations | 3 |
| NPClassifier pathway | Shikimates and Phenylpropanoids | NPClassifier superclass | Phenolic acids (C6-C1) |
| NPClassifier class | Gallotannins | Parent SMILES | O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
| Parent formula | C34H28O22 | Parent molecular weight | 788.576 |
| Specified stereocenters | 5 | Unspecified stereocenters | 0 |
Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.
Reported natural occurrence
| Main reported source | Balanophora japonica |
|---|---|
| LOTUS / Wikidata species | Balanophora japonica(日本蛇菰)[1]；Castanopsis fissa(黧蒴锥)[1]；Euphorbia helioscopia(泽漆)[1]；Euphorbia hirta(飞扬草)[1]；Euphorbia humifusa(地锦草)[1]；Euphorbia jolkinii(大狼毒)[1]；Euphorbia lunulata[1]；Euphorbia maculata(斑地锦)[1]；Euphorbia watanabei[1]；Excoecaria agallocha(海漆)[1]；Falconeria insignis(异序乌桕)[1]；Loropetalum chinense(𪲛木)[1]；Phyllanthus virgatus(黄珠子草)[1]；Plantago major(宽叶车前)[1]；Terminalia chebula(诃子)[1] |
| Source families | Euphorbiaceae[9]；Balanophoraceae[1]；Fagaceae[1]；Hamamelidaceae[1]；Phyllanthaceae[1]；Plantaginaceae[1] |
| LOTUS species records | 15 |
| LOTUS reference records | 15 |
| COCONUT occurrence records | Balanophora japonica；Botryosphaeria berengeriana；Bryum pseudotriquetrum；Castanopsis fissa；Cymbopogon proximus；Dioscorea membranacea；Elaeagnus formosana；Euphorbia helioscopia；Euphorbia hirta；Euphorbia humifusa；Euphorbia jolkinii；Euphorbia lunulata；Euphorbia maculata；Euphorbia watanabei；Excoecaria agallocha；Falconeria insignis；Glaucium corniculatum；Heterometra savignii；Loropetalum chinense；Macowania glandulosa；Morus cathayana；Myrmica rubra；Phyllanthus virgatus；Plantago major；Terminalia chebula；Terminalia species |
| COCONUT organism records | 26 |
| COCONUT identifier | CNP0178573.1 |
Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.
Structure resources
Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific document pending; not available in this preview |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.