Phenylpropanoids
Isoacteoside
异毛蕊花糖苷
PHY-NP-14773 · Natural product research catalog
| Catalog number | PHY-NP-14773 |
|---|---|
| CAS number | 61303-13-7 |
| Molecular formula | C29H36O15 |
| Molecular weight | 624.592 g/mol |
| Chemical class | Phenylpropanoids |
| Main reported source | Cistanche phelypaea |
| 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
Isoacteoside is listed in the Phenylpropanoids 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,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O |
| InChIKey | FNMHEHXNBNCPCI-QEOJJFGVSA-N |
| Subclass / scaffold | Cinnamic acids and derivatives Phenylethanoids |
| PubChem CID | 6476333 |
Computed properties
| Exact mass (Da) | 624.2054 | Predicted LogP | -1.0159 |
|---|---|---|---|
| Predicted TPSA (Ų) | 245.29 | H-bond donors | 9 |
| H-bond acceptors | 15 | Rotatable bonds | 10 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 4 |
|---|---|
| Aromatic rings | 2 |
| Fraction Csp³ | 0.483 |
| Synthetic accessibility score | 4.71 |
| QED score | 0.087 |
| Lipinski rule violations | 3 |
| NPClassifier pathway | Shikimates and Phenylpropanoids |
| NPClassifier superclass | Phenylethanoids (C6-C2)；Phenylpropanoids (C6-C3) |
| NPClassifier class | Cinnamic acids and derivatives；Phenylethanoids |
| Parent SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Parent formula | C29H36O15 |
| Parent molecular weight | 624.592 |
| Specified stereocenters | 10 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Cistanche phelypaea |
|---|---|
| Reported source families | Bignoniaceae; Lamiaceae; Orobanchaceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Cistanche phelypaea[4]; Cistanche tubulosa[4]; Globularia alypum[2]; Paulownia tomentosa[2]; Acanthus ebracteatus[1]; Acanthus montanus[1]; Amphilophium crucigerum[1]; Amphilophium paniculatum[1]; Barleria strigosa[1]; Bauhinia tarapotensis[1]; Betonica officinalis[1]; Bontia bontioides[1]; Brandisia hancei[1]; Buddleja davidii[1]; Carex distachya[1] |
|---|---|
| All reported source families | Bignoniaceae[12]; Lamiaceae[10]; Orobanchaceae[8]; Plantaginaceae[6]; Acanthaceae[4]; Verbenaceae[4] |
| LOTUS species records | 56 |
| LOTUS reference records | 56 |
| COCONUT occurrence records | Abies alba; Acacia lasiopetala; Acanthus Ebracteatus; Acanthus ebracteatus; Acanthus montanus; Acorus calamus; Adonis aleppica; Ageratum tomentosum; Ajuga japonica; Allium stipitatum; Alnus mandshurica; Alstonia pittieri; Alternaria scirpicola; Amphilophium crucigerum; Amphilophium paniculatum; Angiopteris evecta; Artemisia argentea; Artemisia kulbadica; Asphodeline damascena; Barleria strigosa; Barnettia kerrii; Bauhinia tarapotensis; Betonica officinalis; Bombus pascuorum; Bontia bontioides; Brandisia hancei; Brodiaea californica; Buddleja davidii; Callicarpa macrophylla; Carex distachya |
| COCONUT organism records | 157 |
| COCONUT identifier | CNP0288601.3 |
| Source reference DOI(s) | 10.1021/NP0501233.S001 |
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 [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate](/structures/PHY-NP-14815.webp)
![Chemical structure of [5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate](/structures/PHY-NP-14816.webp)
![Chemical structure of [6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate](/structures/PHY-NP-14817.webp)
