Cas no 53859-12-4 (3-O-alpha-L-Rhamnoside,5-O-beta-D-glucopyranoside-Cyanidin)
53859-12-4 structure
Product Name:3-O-alpha-L-Rhamnoside,5-O-beta-D-glucopyranoside-Cyanidin
CAS No:53859-12-4
MF:C27H31O15
MW:595.526049852371
CID:2020508
PubChem ID:131752266
Update Time:2025-04-21
3-O-alpha-L-Rhamnoside,5-O-beta-D-glucopyranoside-Cyanidin Chemical and Physical Properties
Names and Identifiers
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- 3-O-alpha-L-Rhamnoside,5-O-beta-D-glucopyranoside-Cyanidin
- 1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
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- Inchi： 1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1
- InChI Key： MVXCPXSXBRABAU-UHFFFAOYSA-O
- SMILES： O1C(C(C(C(C1CO)O)O)O)OC1=CC(=CC2=C1C=C(C(C1C=CC(=C(C=1)O)O)=[O+]2)OC1C(C(C(C(C)O1)O)O)O)O
Computed Properties
- Exact Mass: 595.16629528g/mol
- Monoisotopic Mass: 595.16629528g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 42
- Rotatable Bond Count: 6
- Complexity: 883
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 240?2
- XLogP3: -1.251
3-O-alpha-L-Rhamnoside,5-O-beta-D-glucopyranoside-Cyanidin Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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