Triterpenoids
Bacopaside X
假马齿苋皂苷VII
PHY-NP-00326 · Natural product research catalog
| Catalog number | PHY-NP-00326 |
|---|---|
| CAS number | 94443-88-6 |
| Molecular formula | C46H74O17 |
| Molecular weight | 899.081 g/mol |
| Chemical class | Triterpenoids |
| Main reported source | Bacopa monnieri |
| Purity / assay | Min. 98% Other purity specifications available on inquiry. |
Chemical structure
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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
Bacopaside X is listed in the Triterpenoids 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 | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|---|
| SMILES | CC(=C[C@H]1C[C@]([C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]36C[C@@]2(O1)OC6)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)(C)O)C |
| InChIKey | RANQPHKSRUUPKK-GPUGMLHBSA-N |
| Subclass / scaffold | Dammarane and Protostane triterpenoids Lanostane, Tirucallane and Euphane triterpenoids；皂苷/苷 |
| PubChem CID | 10629555 |
Computed properties
| Exact mass (Da) | 898.4926 | Predicted LogP | 0.6058 |
|---|---|---|---|
| Predicted TPSA (Ų) | 255.91 | H-bond donors | 9 |
| H-bond acceptors | 17 | Rotatable bonds | 9 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 9 |
|---|---|
| Aromatic rings | 0 |
| Fraction Csp³ | 0.957 |
| Synthetic accessibility score | 7.84 |
| QED score | 0.114 |
| Lipinski rule violations | 3 |
| NPClassifier pathway | Terpenoids |
| NPClassifier superclass | Triterpenoids |
| NPClassifier class | Dammarane and Protostane triterpenoids；Lanostane, Tirucallane and Euphane triterpenoids |
| Parent SMILES | CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 |
| Parent formula | C46H74O17 |
| Parent molecular weight | 899.081 |
| Specified stereocenters | 24 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Bacopa monnieri |
|---|---|
| Reported source families | Plantaginaceae; Rhamnaceae; Menispermaceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Bacopa monnieri[3]; Colubrina retusa[2]; Anomospermum grandifolium[1]; Bacopa monniera[1] |
|---|---|
| All reported source families | Plantaginaceae[2]; Rhamnaceae[1]; Menispermaceae[1] |
| LOTUS species records | 4 |
| LOTUS reference records | 6 |
| COCONUT occurrence records | Agarum cribrosum; Aglaia elliptica; Anomospermum grandifolium; Bacopa monniera; Bacopa monnieri; Catananche caerulea; Cirsium wallichii; Colubrina retusa; Corydalis calliantha; Corynascus setosus; Dryocosmus kuriphilus; Fritillaria cirrhosa; Micromelum pubescens; Ocotea cymbarum; Phebalium whitei; Rosa agrestis; Rumex nepalensis; Salvia urolepis; Samadera indica; Solanderia secunda; Stiretrus anchorago; Strychnos ligustrina; Trichosurus vulpecula; Veronica kellereri; Vitis betulifolia |
| COCONUT organism records | 25 |
| COCONUT identifier | CNP0201808.1 |
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.
