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(2R,3R,4R,5S)-5-(((2S,3S,4S,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy
)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-
yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
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ChemBase ID:
182157
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Molecular Formular:
C23H40O20
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Molecular Mass:
636.5517
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Monoisotopic Mass:
636.21129368
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SMILES and InChIs
SMILES:
C1(C(C(C(C(O1)CO)O)O)O)OC1C(C(C(OC1CO)OC1C(C(C(OC1CO)OC1C(C(C(OC1)O)O)O)O)O)O)O
Canonical SMILES:
OCC1OC(OC2COC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O)O
InChI:
InChI=1S/C23H40O20/c24-1-5-9(27)11(29)15(33)22(38-5)42-19-7(3-26)40-23(17(35)13(19)31)43-18-6(2-25)39-21(16(34)12(18)30)41-8-4-37-20(36)14(32)10(8)28/h5-36H,1-4H2
InChIKey:
NSDQQIHRDVXJJP-UHFFFAOYSA-N
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Cite this record
CBID:182157 http://www.chembase.cn/molecule-182157.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
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IUPAC name
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(2R,3R,4R,5S)-5-(((2S,3S,4S,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy
)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-
yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
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IUPAC Traditional name
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(2R,3R,4R,5S)-5-(((2S,3S,4S,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy
)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-
yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
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Description
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Polymer, n=54-55
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Show
data source
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Classification
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Rare Genuine Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent