Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:29:37 UTC |
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Update Date | 2022-03-07 02:52:07 UTC |
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HMDB ID | HMDB0029315 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Asparagoside B |
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Description | Asparagoside B belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Based on a literature review a significant number of articles have been published on Asparagoside B. |
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Structure | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C33H56O9 |
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Average Molecular Weight | 596.7923 |
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Monoisotopic Molecular Weight | 596.39243339 |
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IUPAC Name | 2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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Traditional Name | 2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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CAS Registry Number | 60237-69-6 |
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SMILES | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O |
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InChI Identifier | InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3 |
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InChI Key | FBJYDOQUXQMQSS-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Steroidal glycosides |
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Direct Parent | Steroidal saponins |
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Alternative Parents | |
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Substituents | - Steroidal saponin
- Furostane-skeleton
- 22-hydroxysteroid
- 3-hydroxysteroid
- Hydroxysteroid
- Fatty acyl glycoside
- Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Oxane
- Fatty acyl
- Monosaccharide
- Tetrahydrofuran
- Cyclic alcohol
- Hemiacetal
- Secondary alcohol
- Polyol
- Acetal
- Organoheterocyclic compound
- Oxacycle
- Primary alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Asparagoside B,1TMS,isomer #1 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O | 4754.7 | Semi standard non polar | 33892256 | Asparagoside B,1TMS,isomer #2 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O | 4754.8 | Semi standard non polar | 33892256 | Asparagoside B,1TMS,isomer #3 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O | 4765.8 | Semi standard non polar | 33892256 | Asparagoside B,1TMS,isomer #4 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O | 4749.8 | Semi standard non polar | 33892256 | Asparagoside B,1TMS,isomer #5 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O | 4719.6 | Semi standard non polar | 33892256 | Asparagoside B,1TMS,isomer #6 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C | 4722.6 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #1 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O | 4668.2 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #10 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O | 4699.6 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #11 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O | 4668.3 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #12 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C | 4691.9 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #13 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4647.2 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #14 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4651.1 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #15 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4666.8 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #2 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O | 4710.2 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #3 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O | 4686.2 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #4 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O | 4635.6 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #5 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C | 4666.6 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #6 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O | 4681.8 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #7 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O | 4651.6 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #8 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O | 4605.6 | Semi standard non polar | 33892256 | Asparagoside B,2TMS,isomer #9 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C | 4628.8 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #1 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O | 4592.1 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #10 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4584.4 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #11 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O | 4572.1 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #12 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O | 4531.5 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #13 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C | 4559.2 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #14 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4495.0 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #15 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4506.0 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #16 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4519.7 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #17 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4613.0 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #18 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4606.9 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #19 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4619.8 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #2 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O | 4541.7 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #20 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4610.7 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #3 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O | 4492.7 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #4 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C | 4526.6 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #5 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O | 4636.9 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #6 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O | 4593.0 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #7 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C | 4629.4 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #8 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4562.3 | Semi standard non polar | 33892256 | Asparagoside B,3TMS,isomer #9 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4569.7 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #1 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O | 4485.5 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #10 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4520.7 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #11 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4444.6 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #12 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4448.2 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #13 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4451.1 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #14 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4433.5 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #15 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4581.5 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #2 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O | 4428.7 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #3 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C | 4472.8 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #4 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4383.0 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #5 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4394.0 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #6 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4404.6 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #7 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4540.4 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #8 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4540.3 | Semi standard non polar | 33892256 | Asparagoside B,4TMS,isomer #9 | CC(CCC1(O[Si](C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4549.9 | Semi standard non polar | 33892256 | Asparagoside B,1TBDMS,isomer #1 | CC(CCC1(O[Si](C)(C)C(C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O | 4982.5 | Semi standard non polar | 33892256 | Asparagoside B,1TBDMS,isomer #2 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C(C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O | 4954.9 | Semi standard non polar | 33892256 | Asparagoside B,1TBDMS,isomer #3 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O | 4967.2 | Semi standard non polar | 33892256 | Asparagoside B,1TBDMS,isomer #4 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 4973.3 | Semi standard non polar | 33892256 | Asparagoside B,1TBDMS,isomer #5 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 4940.4 | Semi standard non polar | 33892256 | Asparagoside B,1TBDMS,isomer #6 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 4947.2 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #1 | CC(CCC1(O[Si](C)(C)C(C)(C)C)OC2CC3C4CCC5CC(O[Si](C)(C)C(C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O | 5079.0 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #10 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5118.5 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #11 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5085.1 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #12 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5105.4 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #13 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 5074.1 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #14 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 5077.9 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #15 | CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 5094.9 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #2 | CC(CCC1(O[Si](C)(C)C(C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O | 5119.8 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #3 | CC(CCC1(O[Si](C)(C)C(C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5116.7 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #4 | CC(CCC1(O[Si](C)(C)C(C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5074.4 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #5 | CC(CCC1(O[Si](C)(C)C(C)(C)C)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5101.5 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #6 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C(C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O | 5076.1 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #7 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C(C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5064.3 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #8 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C(C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5025.6 | Semi standard non polar | 33892256 | Asparagoside B,2TBDMS,isomer #9 | CC(CCC1(O)OC2CC3C4CCC5CC(O[Si](C)(C)C(C)(C)C)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5044.4 | Semi standard non polar | 33892256 |
| Show more...
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (Non-derivatized) - 70eV, Positive | splash10-05r1-3311190000-304f5b29ce66dbef2191 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (1 TMS) - 70eV, Positive | splash10-0udi-5411219000-cde8cfa5b64b4783c902 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_1_6) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_11) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_12) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_13) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_14) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_2_15) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Asparagoside B GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 10V, Positive-QTOF | splash10-00os-0023490000-c29b2ab525fc684cd721 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 20V, Positive-QTOF | splash10-01b9-3283940000-7872f4bbfa1a037130ae | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 40V, Positive-QTOF | splash10-0303-9377340000-a9b5d151fc17e29e1e66 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 10V, Negative-QTOF | splash10-0002-1203390000-310178cd894abfa09de7 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 20V, Negative-QTOF | splash10-0h00-5819460000-b2bbc32835064a75577e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 40V, Negative-QTOF | splash10-0pbd-9124200000-7f4c5dc7d451570a068d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 10V, Negative-QTOF | splash10-0002-0000090000-ce8a9fdfe9b1735c92db | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 20V, Negative-QTOF | splash10-0002-3000290000-07e83d45e7ab1cc120d5 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 40V, Negative-QTOF | splash10-0a4i-9000110000-cd50d16fb9b1cfdf1694 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 10V, Positive-QTOF | splash10-002b-0000190000-fbdf7411e61148d4bc7d | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 20V, Positive-QTOF | splash10-05vk-2159550000-7ca1c61d3934925d3676 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Asparagoside B 40V, Positive-QTOF | splash10-0095-9870720000-5607b7bae4ccc25126ef | 2021-09-24 | Wishart Lab | View Spectrum |
| Show more...
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Biological Properties |
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Cellular Locations | - Cytoplasm
- Extracellular
- Membrane
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB000375 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 21236449 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 131750847 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1808291 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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