Cas no 115124-95-3 (Siringinoside)
Siringinoside structure
Product Name:Siringinoside
CAS No:115124-95-3
MF:C23H34O14
MW:534.507668972015
CID:184084
PubChem ID:14035430
Update Time:2024-03-01
Siringinoside Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside,4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl 6-O-b-D-glucopyranosyl-
- b-D-Glucopyranoside,4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl 6-O-b-D-glucopyranosyl-, (E)-
- b-D-Glucopyranoside,4-[(1E)-3-hydroxy-1-propenyl]-2,6-dimethoxyphenyl 6-O-b-D-glucopyranosyl- (9CI)
- Syringinoside
- Siringinoside
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
- AKOS040736266
- NCGC00385515-01
- 115124-95-3
- DTXSID501347630
- (-)-Syringinoside
-
- Inchi： 1S/C23H34O14/c1-32-11-6-10(4-3-5-24)7-12(33-2)21(11)37-23-20(31)18(29)16(27)14(36-23)9-34-22-19(30)17(28)15(26)13(8-25)35-22/h3-4,6-7,13-20,22-31H,5,8-9H2,1-2H3/b4-3+/t13-,14-,15-,16-,17+,18+,19-,20-,22-,23+/m1/s1
- InChI Key： ZCKITOSCNKNMMO-YQHZJLNZSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)OC1C(=CC(/C=C/CO)=CC=1OC)OC
Computed Properties
- Exact Mass: 534.19485575g/mol
- Monoisotopic Mass: 534.19485575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 37
- Rotatable Bond Count: 10
- Complexity: 697
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.7
- Topological Polar Surface Area: 217
Siringinoside Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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