Tannins
1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose
1,2,3,6-四没食子酰葡萄糖
PHY-NP-01640 · Natural product research catalog
| Catalog number | PHY-NP-01640 |
|---|---|
| CAS number | 79886-50-3 |
| Molecular formula | C34H28O22 |
| Molecular weight | 788.576 g/mol |
| Chemical class | Tannins |
| Main reported source | Phyllanthus emblica |
| Purity / assay | Min. 98% Other purity specifications available on inquiry. |
Chemical structure
Select a pack size
| 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 |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
1,2,3,6-Tetra-O-Galloyl-Beta-D-Glucose 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,4S,5R,6S)-3-hydroxy-4,5,6-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)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| InChIKey | RATQVALKDAUZBW-XPMKZLBQSA-N |
| Subclass / scaffold | 没食子酰×4 |
| PubChem CID | 73178 |
Computed properties
| 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 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| 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](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)c1cc(O)c(O)c(O)c1 |
| Parent formula | C34H28O22 |
| Parent molecular weight | 788.576 |
| Specified stereocenters | 5 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Phyllanthus emblica |
|---|---|
| Reported source families | Myrtaceae; Fagaceae; Euphorbiaceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Phyllanthus emblica[3]; Juglans mandshurica[2]; Paeonia lactiflora[2]; Phyllagathis rotundifolia[2]; Rhodiola rosea[2]; Rhodiola sachalinensis[2]; Acalypha indica[1]; Agrobacterium rhizogenes[1]; Castanea crenata[1]; Castanopsis fissa[1]; Ceratonia siliqua[1]; Cercidiphyllum japonicum[1]; Cornulaca monacantha[1]; Cornus officinalis[1]; Corylus heterophylla[1] |
|---|---|
| All reported source families | Myrtaceae[6]; Fagaceae[5]; Euphorbiaceae[4]; Fabaceae[4]; Crassulaceae[2]; Rhizobiaceae[2] |
| LOTUS species records | 40 |
| LOTUS reference records | 40 |
| COCONUT occurrence records | Acalypha indica; Aframomum amaniense; Aglaia laxiflora; Agrobacterium rhizogenes; Agrostis epigeios; Alectoria divergens; Annulohypoxylon truncatum; Aristolochia zollingeriana; Artemisia carvifolia; Balanophora involucrata; Bartramia pomiformis; Beilschmiedia anacardioides; Callicarpa maingayi; Castanea crenata; Castanopsis fissa; Cedrus libani; Cephalaria grossheimii; Cephalaria uralensis; Ceratonia siliqua; Cercidiphyllum japonicum; Cerinthe minor; Chrysothamnus parryi; Cladonia fallax; Clematis tangutica; Coccus ilicis; Cornulaca monacantha; Cornus officinalis; Corylus heterophylla; Craspidospermum verticillatum; Crotalaria aegyptiaca |
| COCONUT organism records | 108 |
| COCONUT identifier | CNP0209290.1 |
Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific COA available on request; no PDF published yet |
|---|---|
| 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.
