[1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate
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![[1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/913d9a4ad29041b8bfb00b3dc8f440c0.png "[1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate")
[1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate
structure -
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CAS No:
84744-46-7
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Formula:
C27H22O18
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Chemical Name:
[1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate
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Synonyms:
gemin D;Gemin D;84744-46-7;D-Glucose, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(3,4,5-trihydroxybenzoate);D-Glucose, cyclic 4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 3-(3,4,5-trihydroxybenzoate);DTXSID701005046;[1-[heptahydroxy(dioxo)[?]yl]-2-hydroxy-3-oxo-propyl] 3,4,5-trihydroxybenzoate;1-(1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-2-hydroxy-3-oxopropyl 3,4,5-trihydroxybenzoate
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CAS No:
[1-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2-hydroxy-3-oxopropyl] 3,4,5-trihydroxybenzoate Basic Attributes
634.5 g/mol
634.08061385 g/mol
Computed Properties
Molecular Weight:634.5
XLogP3:-0.2
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:6
Exact Mass:634.08061385
Monoisotopic Mass:634.08061385
Topological Polar Surface Area:319
Heavy Atom Count:45
Complexity:1080
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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