![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
Hederacoside D
常春藤皂苷D
PHY-NP-01226 · Natural product research catalog
| Catalog number | PHY-NP-01226 |
|---|---|
| CAS number | 760961-03-3 |
| Molecular formula | C53H86O22 |
| Molecular weight | 1075.249 g/mol |
| Chemical class | Triterpenoids |
| Main reported source | Caulophyllum thalictroides |
| 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 |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
Hederacoside D 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
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O |
|---|---|
| InChIKey | UEHILKCNLIKLEV-LXABABOZSA-N |
| Subclass / scaffold | Oleanane triterpenoids；皂苷/苷 |
| PubChem CID | 21630094 |
Computed properties
| Exact mass (Da) | 1074.5611 | Predicted LogP | -1.3962 |
|---|---|---|---|
| Predicted TPSA (Ų) | 353.9 | H-bond donors | 13 |
| H-bond acceptors | 22 | Rotatable bonds | 11 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 9 |
|---|---|
| Aromatic rings | 0 |
| Fraction Csp³ | 0.943 |
| Synthetic accessibility score | 6.79 |
| QED score | 0.064 |
| 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]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| Parent formula | C53H86O22 |
| Parent molecular weight | 1075.249 |
| Specified stereocenters | 28 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Caulophyllum thalictroides |
|---|---|
| Reported source families | Ranunculaceae; Araliaceae; Berberidaceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Caulophyllum thalictroides[4]; Hedera helix[3]; Hedera canariensis[2]; Stauntonia hexaphylla[2]; Acer pictum[1]; Anemonastrum tetrasepalum[1]; Anemone hupehensis[1]; Caulophyllum robustum[1]; Clematis chinensis[1]; Clematis orientalis[1]; Clematis tibetana[1]; Eriocapitella hupehensis[1]; Fatsia japonica[1]; Hedera colchica[1]; Hedera nepalensis[1] |
|---|---|
| All reported source families | Ranunculaceae[10]; Araliaceae[9]; Berberidaceae[2]; Lardizabalaceae[1]; Sapindaceae[1]; Boraginaceae[1] |
| LOTUS species records | 24 |
| LOTUS reference records | 26 |
| COCONUT occurrence records | Acer pictum; Anemonastrum tetrasepalum; Anemone hupehensis; Balanocarpus zeylanicus; Bidens frondosa; Caltha polypetala; Caulophyllum robustum; Caulophyllum thalictroides; Clematis chinensis; Clematis orientalis; Clematis tibetana; Clematis tibetana KUNTZ; Daedalea dickinsii; Diospyros dendo; Diphylleia grayi; Eriocapitella hupehensis; Fatsia japonica; Halictus sexcinctus; Halorosellinia oceanica; Hedera canariensis; Hedera colchica; Hedera helix; Hedera helix L.; Hedera nepalensis; Hedysarum alpinum; Heptapleurum heptaphyllum; Ilex latifolia; Kalopanax pictus; Kalopanax septemlobus; Lobelia radicans |
| COCONUT organism records | 47 |
| COCONUT identifier | CNP0328496.2 |
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)