![Chemical structure of (2S,3R,4R,5R,6S)-2-[[(3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4,10-dihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol](/structures/PHY-NP-01050.webp)
Triterpenoids
Saikosaponin A
柴胡皂苷A
PHY-NP-01340 · Natural product research catalog
| Catalog number | PHY-NP-01340 |
|---|---|
| CAS number | 20736-09-8 |
| Molecular formula | C42H68O13 |
| Molecular weight | 780.993 g/mol |
| Chemical class | Triterpenoids |
| Main reported source | Bupleurum falcatum |
| 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.
Larger pack sizes available — Request a quote
Request larger pack sizes / bulk quantity ↗
Telephone contact details will be published after launch.
Product information
Saikosaponin A 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-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O |
| InChIKey | KYWSCMDFVARMPN-MSSMMRRTSA-N |
| Subclass / scaffold | Oleanane triterpenoids；皂苷/苷 |
| PubChem CID | 167928 |
Computed properties
| Exact mass (Da) | 780.466 | Predicted LogP | 1.7769 |
|---|---|---|---|
| Predicted TPSA (Ų) | 207.99 | H-bond donors | 8 |
| H-bond acceptors | 13 | Rotatable bonds | 6 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 8 |
|---|---|
| Aromatic rings | 0 |
| Fraction Csp³ | 0.952 |
| Synthetic accessibility score | 7.26 |
| QED score | 0.143 |
| Lipinski rule violations | 3 |
| NPClassifier pathway | Terpenoids |
| NPClassifier superclass | Triterpenoids |
| NPClassifier class | Oleanane triterpenoids |
| Parent SMILES | C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Parent formula | C42H68O13 |
| Parent molecular weight | 780.993 |
| Specified stereocenters | 21 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Bupleurum falcatum |
|---|---|
| Reported source families | Apiaceae; Scrophulariaceae; Lamiaceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Bupleurum falcatum[18]; Bupleurum chinense[2]; Bupleurum kaoi[2]; Buddleja japonica[1]; Bupleurum kunmingense[1]; Bupleurum marginatum[1]; Bupleurum polyclonum[1]; Bupleurum rockii[1]; Bupleurum spinosum[1]; Bupleurum wenchuanense[1]; Clinopodium chinense[1]; Clinopodium gracile[1]; Clinopodium micranthum[1]; Physospermum verticillatum[1]; Scrophularia kakudensis[1] |
|---|---|
| All reported source families | Apiaceae[10]; Scrophulariaceae[4]; Lamiaceae[3] |
| LOTUS species records | 17 |
| LOTUS reference records | 33 |
| COCONUT occurrence records | Buddleja japonica; Bupleurum chinense; Bupleurum falcatum; Bupleurum kaoi; Bupleurum kunmingense; Bupleurum marginatum; Bupleurum polyclonum; Bupleurum rockii; Bupleurum scorzonerifolium; Bupleurum spinosum; Bupleurum wenchuanense; Clinopodium chinense; Clinopodium gracile; Clinopodium micranthum; Physospermum verticillatum; Scrophularia kakudensis; Verbascum roripifolium; Verbascum sinaiticum; physospermum verticillatum |
| COCONUT organism records | 19 |
| COCONUT identifier | CNP0102764.6 |
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.
![Chemical structure of (2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid](/structures/PHY-NP-01052.webp)
![Chemical structure of (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid](/structures/PHY-NP-01053.webp)
![Chemical structure of (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-carboxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid](/structures/PHY-NP-01056.webp)
![Chemical structure of (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-5-acetyloxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-methyloxan-3-yl]oxy-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid](/structures/PHY-NP-01054.webp)