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17406-45-0

17406-45-0 | β-D-Galactopyranoside, (3β,5α,22β,25S)-spirosolan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-

CAS No: 17406-45-0 Catalog No: AG001ZFB MDL No:MFCD00016888

Product Description

Catalog Number:
AG001ZFB
Chemical Name:
β-D-Galactopyranoside, (3β,5α,22β,25S)-spirosolan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-
CAS Number:
17406-45-0
MDL Number:
MFCD00016888
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1
InChI Key:
REJLGAUYTKNVJM-SGXCCWNXSA-N
EC Number:
241-429-5
UNII:
31U6547O08

Properties

Complexity:
1840  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
31  
Defined Bond Stereocenter Count:
0
Exact Mass:
1033.546g/mol
Formal Charge:
0
Heavy Atom Count:
72  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
1034.2g/mol
Monoisotopic Mass:
1033.546g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
338A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

Literature

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