Cas no 135681-06-0 (Exaltoside)
Exaltoside structure
Product Name:Exaltoside
CAS No:135681-06-0
MF:C26H36O12
MW:540.556849479675
CID:2663025
Update Time:2024-02-29
Exaltoside Chemical and Physical Properties
Names and Identifiers
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- (2E,6E)-8-Hydroxy-2,6-dimethyl-2,6-octadienoic acid [(3R)-5β-ethenyl-6α-(β-D-glucopyranosyloxy)-4,4aα,5,6-tetrahydro-1-oxo-1H,3H-pyrano[3,4-c]pyran]-3β-yl ester
- Exaltoside
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- Inchi： 1S/C26H36O12/c1-4-15-16-10-19(36-23(32)14(3)7-5-6-13(2)8-9-27)37-24(33)17(16)12-34-25(15)38-26-22(31)21(30)20(29)18(11-28)35-26/h4,7-8,12,15-16,18-22,25-31H,1,5-6,9-11H2,2-3H3/b13-8+,14-7+/t15-,16+,18-,19-,20-,21+,22-,25+,26+/m1/s1
- InChI Key： BGEODRYTLBLROB-LZQWLFFSSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@H](C=C)[C@H]2C(C(=O)O[C@H](C2)OC(/C(/C)=C/CC/C(=C/CO)/C)=O)=CO1
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 38
- Rotatable Bond Count: 11
- Complexity: 956
- Topological Polar Surface Area: 181
Exaltoside Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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