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164239319 molecular structure
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(2R,3R,4R,5R)-5-(((2R,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2S,3R,4S,5S,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyra n-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy- 6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol

ChemBase ID: 183409
Molecular Formular: C34H58O28
Molecular Mass: 914.80752
Monoisotopic Mass: 914.31146122
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(OC2C(C(C(OC2C)OC2C(C(C(OC2)O)O)O)O)O)OC1)O)O)O)O)O)O
Canonical SMILES:
OCC1OC(OC2COC(C(C2O)O)OC2C(C)OC(C(C2O)O)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/C34H58O28/c1-7-26(17(42)23(48)31(54-7)58-11-5-52-29(51)20(45)14(11)39)60-30-21(46)15(40)12(6-53-30)59-32-24(49)18(43)27(9(3-36)56-32)62-34-25(50)19(44)28(10(4-37)57-34)61-33-22(47)16(41)13(38)8(2-35)55-33/h7-51H,2-6H2,1H3
InChIKey:
VFQUJNWCNONFTN-UHFFFAOYSA-N

Cite this record

CBID:183409 http://www.chembase.cn/molecule-183409.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4R,5R)-5-(((2R,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2S,3R,4S,5S,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyra n-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy- 6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
IUPAC Traditional name
(2R,3R,4R,5R)-5-(((2R,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2S,3R,4S,5S,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyra n-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy- 6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol
PubChem SID
164239319
PubChem CID
5169540

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5169540 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=110 expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

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