Glycosciences.de - Glycosciences.DB entry 137

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Glycosciences.DB structure entry #137: Stachyose

Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 a-D-Galp-(1-6)-a-D-Galp-(1-6)-a-D-Glcp-(1-2)-b-D-Fruf


RES
1b:b-dara-HEX-2:5|2:keto
2b:a-dglc-HEX-1:5
3b:a-dgal-HEX-1:5
4b:a-dgal-HEX-1:5
LIN
1:1o(2+1)2d
2:2o(6+1)3d
3:3o(6+1)4d


<?xml version="1.0" encoding="UTF-8"?>
 <sugar version="1.0">
 <residues>
 <basetype id="1" anomer="b" superclass="hex" ringStart="2" ringEnd="5" name="b-dara-HEX-2:5|2:keto">
 <stemtype id="1" type="dara" />
 <modification type="keto" pos_one="2" />
 </basetype>
 <basetype id="2" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="3" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="4" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 </residues>
 <linkages>
 <connection id="1" parent="1" child="2">
 <linkage id="1" parentType="o" childType="d">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="2" parent="2" child="3">
 <linkage id="2" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="3" parent="3" child="4">
 <linkage id="3" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

download coordinates

General Structure Data

Chemical Formula:	C₂₄H₄₂O₂₁	#C	#H	#O
Molec. Weight:	666	24	42	21
# Atoms:	87
# Residues:	4
# Heavy Atoms:	45

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Composition

Superclasses:

Hex
Hex	4

Residues:

Residue	Count
A-D-GALP	2
A-D-GLCP	1
B-D-FRUF	1

▴

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NMR Carbon Chemical Shift Info

MHz	0
Temperature	0
Solvent	D2O
Note	a-d)Assignments may have to be interchanged.
Residue	Linkage	Carbon	PPM	JFrom	JTo	Hz	Note
b-D-Fruf		C1	62.60			0	a
b-D-Fruf		C2	103.90			0
b-D-Fruf		C3	77.00			0
b-D-Fruf		C4	81.40			0
b-D-Fruf		C5	74.40			0
b-D-Fruf		C6	62.00			0	a
a-D-Glcp	2	C1	92.20			0
a-D-Glcp	2	C2	71.40			0	b
a-D-Glcp	2	C3	73.00			0	b
a-D-Glcp	2	C4	69.50			0	c
a-D-Glcp	2	C5	71.20			0	b
a-D-Glcp	2	C6	66.20			0
a-D-Galp	6,2	C1	98.50			0
a-D-Galp	6,2	C2	69.70			0	c
a-D-Galp	6,2	C3	68.90			0	b
a-D-Galp	6,2	C4	68.60			0	b
a-D-Galp	6,2	C5	69.50			0	c
a-D-Galp	6,2	C6	66.60			0
a-D-Galp	6,6,2	C1	98.20			0
a-D-Galp	6,6,2	C2	69.80			0	c
a-D-Galp	6,6,2	C3	68.50			0	d
a-D-Galp	6,6,2	C4	69.80			0	c
a-D-Galp	6,6,2	C5	71.10			0
a-D-Galp	6,6,2	C6	61.30			0	d