Cas no 160525-54-2 (Cuniloside)
Cuniloside structure
Product Name:Cuniloside
CAS No:160525-54-2
MF:C26H40O10
MW:512.589809417725
CID:218922
PubChem ID:51136390
Update Time:2024-03-01
Cuniloside Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranose,1,6-bis[4-[(1S)-1-hydroxy-1-methylethyl]-1-cyclohexene-1-carboxylate]
- b-D-Glucopyranose,1,6-bis[4-(1-hydroxy-1-methylethyl)-1-cyclohexene-1-carboxylate], [1(S),6(S)]-
- Cuniloside
- Cuniloside A
- Eucalmaidin E
- NCGC00385101-01
- [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
- AKOS040735660
- 160525-54-2
- NCGC00385101-01_C26H40O10_1,6-Bis-O-{[4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-beta-D-glucopyranose
- Cuniloside B
- (-)-Cuniloside B
- (-)-Eucalmaidin E
-
- Inchi： 1S/C26H40O10/c1-25(2,32)16-9-5-14(6-10-16)22(30)34-13-18-19(27)20(28)21(29)24(35-18)36-23(31)15-7-11-17(12-8-15)26(3,4)33/h5,7,16-21,24,27-29,32-33H,6,8-13H2,1-4H3/t16?,17?,18-,19-,20+,21-,24+/m1/s1
- InChI Key： JOLLIDAUJSAZHE-NXLZJJLUSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C1=CCC(CC1)C(C)(C)O)=O)O)O)O)OC(C1=CCC(CC1)C(C)(C)O)=O
Computed Properties
- Exact Mass: 512.26214747g/mol
- Monoisotopic Mass: 512.26214747g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 36
- Rotatable Bond Count: 9
- Complexity: 876
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 163
- XLogP3: 0.913
Cuniloside Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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