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Poliumoside

CAS No.:
94079-81-9
Catalog Number:
AG00GU5N
Molecular Formula:
C35H46O19
Molecular Weight:
770.7283
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
1 week
United States
$357
- +
50mg
95%
1 week
United States
$987
- +
100mg
95%
1 week
United States
$1543
- +
Product Description
Catalog Number:
AG00GU5N
Chemical Name:
Poliumoside
CAS Number:
94079-81-9
Molecular Formula:
C35H46O19
Molecular Weight:
770.7283
MDL Number:
MFCD23160017
IUPAC Name:
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+
InChI Key:
YMWRMAOPKNYHMZ-VMPITWQZSA-N
SMILES:
O=C(OC1C(COC2OC(C)C(C(C2O)O)O)OC(C(C1OC1OC(C)C(C(C1O)O)O)O)OCCc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O
Properties
Complexity:
1210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
770.263g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
770.734g/mol
Monoisotopic Mass:
770.263g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
15  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties