Cas no 868171-32-8 (strychoside A)
strychoside A structure
Product Name:strychoside A
CAS No:868171-32-8
MF:C33H44O19
MW:744.691072463989
CID:2017182
PubChem ID:11498663
Update Time:2025-04-21
strychoside A Chemical and Physical Properties
Names and Identifiers
-
- strychoside A
- (-)-Strychoside A
- (2S,3R,4R)-3-ethenyl-4-((E)-4-((2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,4-dihydro-2H-pyran-4-yl)-1-oxobut-2-en-2-yl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
- 868171-32-8
- (2S,3R,4R)-3-ethenyl-4-[(E)-4-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-1-oxobut-2-en-2-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
-
- Inchi： 1S/C33H44O19/c1-4-14-16(17(29(45)46-3)11-47-30(14)51-32-26(41)24(39)22(37)19(9-35)49-32)7-6-13(8-34)21-15(5-2)31(48-12-18(21)28(43)44)52-33-27(42)25(40)23(38)20(10-36)50-33/h4-6,8,11-12,14-16,19-27,30-33,35-42H,1-2,7,9-10H2,3H3,(H,43,44)
- InChI Key： CQRSHECOOIXIBJ-UHFFFAOYSA-N
- SMILES： COC(C1C(CC=C(C2C(C(=O)O)=COC(OC3C(O)C(O)C(O)C(CO)O3)C2C=C)C=O)C(C=C)C(OC2C(O)C(O)C(O)C(CO)O2)OC=1)=O
Computed Properties
- Exact Mass: 744.24767917Da
- Monoisotopic Mass: 744.24767917Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 52
- Rotatable Bond Count: 15
- Complexity: 1390
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 16
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.533
- Topological Polar Surface Area: 298?2
strychoside A Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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