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164240636 molecular structure
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(2R,3S,4R,5S,6R)-5-(((2S,3S,4R,5S,6R)-5-(((2S,3S,4S,5R,6R)-5-(((2S,3S,4R,5S,6R)-5-(((2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2 H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihy droxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahyd ro-2H-pyran-2,3,4-triol

ChemBase ID: 184726
Molecular Formular: C38H66O31
Molecular Mass: 1018.91204
Monoisotopic Mass: 1018.35880533
SMILES and InChIs

SMILES:
[C@@H]1([C@H]([C@H]([C@H](O[C@H]2[C@H]([C@H]([C@H](O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H](O2)CO)O)O)[C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1CO)O)O)O)O)O)OC)OC
Canonical SMILES:
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H]([C@H]2O)O)O[C@@H]2[C@@H](CO)O[C@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)OC)OC
InChI:
InChI=1S/C38H66O31/c1-57-31-30(14(8-44)64-38(32(31)58-2)68-29-13(7-43)62-35(24(54)20(29)50)65-26-10(4-40)59-33(56)21(51)17(26)47)69-37-25(55)19(49)28(12(6-42)63-37)67-36-23(53)18(48)27(11(5-41)61-36)66-34-22(52)16(46)15(45)9(3-39)60-34/h9-56H,3-8H2,1-2H3/t9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+/m1/s1
InChIKey:
BSZJZIHLBSRDNW-BAZXWNKRSA-N

Cite this record

CBID:184726 http://www.chembase.cn/molecule-184726.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4R,5S,6R)-5-(((2S,3S,4R,5S,6R)-5-(((2S,3S,4S,5R,6R)-5-(((2S,3S,4R,5S,6R)-5-(((2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2 H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihy droxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahyd ro-2H-pyran-2,3,4-triol
IUPAC Traditional name
(2R,3S,4R,5S,6R)-5-(((2S,3S,4R,5S,6R)-5-(((2S,3S,4S,5R,6R)-5-(((2S,3S,4R,5S,6R)-5-(((2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2 H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihy droxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahyd ro-2H-pyran-2,3,4-triol
PubChem SID
164240636
PubChem CID
16396070

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16396070 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Polymer, n=124 expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

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