Cas no 155656-95-4 (Inerminoside A1)
Inerminoside A1 structure
Product Name:Inerminoside A1
CAS No:155656-95-4
MF:C21H32O14
MW:508.470388412476
CID:143598
PubChem ID:190813
Update Time:2024-02-28
Inerminoside A1 Chemical and Physical Properties
Names and Identifiers
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- Cyclopenta[c]pyran-4-carboxylicacid, 1-[(2-O-D-apio-b-D-furanosyl-b-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-,(1S,4aS,7S,7aS)- (9CI)
- Cyclopenta[c]pyran-4-carboxylicacid, 1-[(2-O-D-apio-b-D-furanosyl-b-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7
- Cyclopenta[c]pyran-4-carboxylicacid, 1-[(2-O-D-apio-b-D-furanosyl-b-D-glucopyranosyl)oxy]-1,4a...
- 1-({2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
- 2'-O-(beta-D-Apiofuranosyl)mussaenosidic acid
- Cyclopenta(c)pyran-4-carboxylic acid, 1-((2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S-(1alpha,4aalpha,7alpha,7aalpha))-
- Inerminoside A1
- 1-({2-O-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
- 155656-95-4
- 1-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
- DTXSID60935263
-
- Inchi: 1S/C21H32O14/c1-20(29)3-2-8-9(16(27)28)5-31-17(11(8)20)35-18-14(13(25)12(24)10(4-22)33-18)34-19-15(26)21(30,6-23)7-32-19/h5,8,10-15,17-19,22-26,29-30H,2-4,6-7H2,1H3,(H,27,28)
- InChI Key: AMVJBPWDFCUNOH-UHFFFAOYSA-N
- SMILES: O(C1C(C(C(C(CO)O1)O)O)OC1C(C(CO)(CO1)O)O)C1C2C(C(C(=O)O)=CO1)CCC2(C)O
Computed Properties
- Exact Mass: 508.17920569g/mol
- Monoisotopic Mass: 508.17920569g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 35
- Rotatable Bond Count: 7
- Complexity: 822
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 12
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 225
- XLogP3: -3.2
Inerminoside A1 Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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