Cas no 70880-60-3 (karatavioside A)
karatavioside A structure
Product Name:karatavioside A
CAS No:70880-60-3
MF:C50H80O23
MW:1049.15641880035
CID:2054132
Update Time:2025-04-21
karatavioside A Chemical and Physical Properties
Names and Identifiers
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- karatavioside A
- [(25R)-2α-Hydroxyspirosta-5-ene-3β-yl]4-O-(2-O-β-D-glucopyranosyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)-β-D-galactopyranoside
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- Inchi： 1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h5,19-20,22-47,51-63H,6-18H2,1-4H3
- InChI Key： XVPVVWNZAJAPLF-UHFFFAOYSA-N
- SMILES： CC1C2(OCC(C)CC2)OC2CC3C(C12)(C)CCC1C3CC=C2C1(C)CC(O)C(OC1C(O)C(O)C(OC3C(OC4C(O)C(O)C(O)C(CO)O4)C(OC4C(O)C(O)C(O)CO4)C(O)C(CO)O3)C(CO)O1)C2
Computed Properties
- Exact Mass: 1048.509
- Monoisotopic Mass: 1048.509
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 23
- Heavy Atom Count: 73
- Rotatable Bond Count: 11
- Complexity: 1940
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 26
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 355A^2
karatavioside A Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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