Cas no 20226-67-9 (Neolloydosin)
Neolloydosin structure
Product Name:Neolloydosin
CAS No:20226-67-9
MF:C20H28O12
MW:460.429127693176
CID:288596
PubChem ID:74315823
Update Time:2024-11-26
Neolloydosin Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[3-methoxy-4-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]phenyl]-
- Neolloydosin(8CI)
- Neolloydosin
- 20226-67-9
-
- Inchi： 1S/C20H28O12/c1-8(21)9-3-4-11(12(5-9)28-2)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)10(22)6-29-19/h3-5,10,13-20,22-27H,6-7H2,1-2H3/t10-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1
- InChI Key： PBILEZBWIBJOSA-UMSLJHCASA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)OC1C=CC(C(C)=O)=CC=1OC
Computed Properties
- Exact Mass: 460.158
- Monoisotopic Mass: 460.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 32
- Rotatable Bond Count: 7
- Complexity: 619
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 185
- XLogP3: -2.098
Neolloydosin Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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