| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-04-28 03:00:34 UTC |
|---|
| Updated at | 2022-04-28 03:00:34 UTC |
|---|
| NP-MRD ID | NP0057594 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Stilbericoside |
|---|
| Description | (2S,3S,4R,5S,6R)-2-{[(1R,2R,4S,5R,6R,10S)-5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.0²,⁴]Dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Stilbericoside is found in Stilbe ericoides. Based on a literature review very few articles have been published on (2S,3S,4R,5S,6R)-2-{[(1R,2R,4S,5R,6R,10S)-5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.0²,⁴]Dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol. |
|---|
| Structure | OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@]3(O)[C@H](O)[C@@H]4O[C@@H]4[C@@H]23)[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C14H20O10/c15-3-4-6(16)7(17)8(18)13(22-4)24-12-5-9-10(23-9)11(19)14(5,20)1-2-21-12/h1-2,4-13,15-20H,3H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13+,14-/m1/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C14H20O10 |
|---|
| Average Mass | 348.3040 Da |
|---|
| Monoisotopic Mass | 348.10565 Da |
|---|
| IUPAC Name | (2S,3S,4R,5S,6R)-2-{[(1R,2R,4S,5R,6R,10S)-5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|
| Traditional Name | (2S,3S,4R,5S,6R)-2-{[(1R,2R,4S,5R,6R,10S)-5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@]3(O)[C@H](O)[C@@H]4O[C@@H]4[C@@H]23)[C@@H](O)[C@H](O)[C@@H]1O |
|---|
| InChI Identifier | InChI=1S/C14H20O10/c15-3-4-6(16)7(17)8(18)13(22-4)24-12-5-9-10(23-9)11(19)14(5,20)1-2-21-12/h1-2,4-13,15-20H,3H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13+,14-/m1/s1 |
|---|
| InChI Key | PWZIGDMWDRKORM-SOJIQGJXSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic oxygen compounds |
|---|
| Class | Organooxygen compounds |
|---|
| Sub Class | Carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | O-glycosyl compounds |
|---|
| Alternative Parents | |
|---|
| Substituents | - Hexose monosaccharide
- O-glycosyl compound
- Oxane
- Monosaccharide
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Oxirane
- Dialkyl ether
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aliphatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|