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Hosenkoside B

CAS No.:
156764-82-8
Catalog Number:
AG00ALQL
Molecular Formula:
C48H82O20
Molecular Weight:
979.1527
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
96%
1 week
United States
$390
- +
Product Description
Catalog Number:
AG00ALQL
Chemical Name:
Hosenkoside B
CAS Number:
156764-82-8
Molecular Formula:
C48H82O20
Molecular Weight:
979.1527
MDL Number:
MFCD30724984
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,2'R,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethylspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C48H82O20/c1-22(19-62-41-37(59)34(56)31(53)25(16-49)64-41)24-8-13-48(21-63-24)15-14-46(4)23(40(48)61)6-7-29-44(2)11-10-30(45(3,20-52)28(44)9-12-47(29,46)5)67-43-39(36(58)33(55)27(18-51)66-43)68-42-38(60)35(57)32(54)26(17-50)65-42/h22-43,49-61H,6-21H2,1-5H3/t22-,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-/m1/s1
InChI Key:
GBXXXUUAOFPGRP-FLOLCGAJSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC[C@H]3[C@@]2(C)CC[C@]2([C@@H]3O)CC[C@@H](OC2)[C@@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
1700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
27  
Defined Bond Stereocenter Count:
0
Exact Mass:
978.54g/mol
Formal Charge:
0
Heavy Atom Count:
68  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
979.164g/mol
Monoisotopic Mass:
978.54g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
328A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties