| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 15:17:27 UTC |
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| Updated at | 2022-09-12 15:17:28 UTC |
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| NP-MRD ID | NP0330185 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol |
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| Description | 2-(Hydroxymethyl)phenyl 6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranoside belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. (2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol is found in Alangium platanifolium. Based on a literature review very few articles have been published on 2-(Hydroxymethyl)phenyl 6-O-(D-apio-beta-D-furanosyl)-beta-D-glucopyranoside. |
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| Structure | OCC1=CC=CC=C1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C18H26O11/c19-5-9-3-1-2-4-10(9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 |
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| Synonyms | | Value | Source |
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| 2-(Hydroxymethyl)phenyl 6-O-(D-apio-b-D-furanosyl)-b-D-glucopyranoside | Generator | | 2-(Hydroxymethyl)phenyl 6-O-(D-apio-β-D-furanosyl)-β-D-glucopyranoside | Generator |
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| Chemical Formula | C18H26O11 |
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| Average Mass | 418.3950 Da |
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| Monoisotopic Mass | 418.14751 Da |
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| IUPAC Name | (2R,3S,4S,5R,6S)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol |
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| Traditional Name | (2R,3S,4S,5R,6S)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol |
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| CAS Registry Number | Not Available |
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| SMILES | OCC1=CC=CC=C1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
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| InChI Identifier | InChI=1S/C18H26O11/c19-5-9-3-1-2-4-10(9)28-16-14(23)13(22)12(21)11(29-16)6-26-17-15(24)18(25,7-20)8-27-17/h1-4,11-17,19-25H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 |
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| InChI Key | LREJRSFSOHVXFP-FQXXIRCGSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Phenolic glycosides |
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| Alternative Parents | |
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| Substituents | - Phenolic glycoside
- Disaccharide
- O-glycosyl compound
- Phenoxy compound
- Benzyl alcohol
- Phenol ether
- Monocyclic benzene moiety
- Oxane
- Benzenoid
- Oxolane
- Tertiary alcohol
- Secondary alcohol
- Polyol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Primary alcohol
- Alcohol
- Hydrocarbon derivative
- Aromatic alcohol
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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