Home Other Building Blocks 102115-79-7
102115-79-7,MFCD04039839
Catalog No.:AA0006L6
102115-79-7 | Pseudoprotodioscin
Pack Size
Purity
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Quantity
  
5mg
98%
2 weeks  
$175.00   $123.00
- +
25mg
2 weeks  
$545.00   $382.00
- +
100mg
2 weeks  
$1,072.00   $750.00
- +
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Technical Information
Catalog Number:
AA0006L6
Chemical Name:
Pseudoprotodioscin
CAS Number:
102115-79-7
Molecular Formula:
C51H82O21
Molecular Weight:
1031.1842
MDL Number:
MFCD04039839
IUPAC Name:
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13R)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI:
InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25?,26-,27+,28+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1
InChI Key:
MDCUMTGKKLOMCW-MQDUZHDNSA-N
SMILES:
OC[C@H]1O[C@@H](OC2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3C(=C(O4)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
EC Number:
600-274-7
Properties
Computed Properties
 
Complexity:
1930  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
28  
Defined Bond Stereocenter Count:
0
Exact Mass:
1030.535g/mol
Formal Charge:
0
Heavy Atom Count:
72  
Hydrogen Bond Acceptor Count:
21  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
1031.196g/mol
Monoisotopic Mass:
1030.535g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
326A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

Synonyms
 
pseudo-protodioscin 
Pseudoprotodioscin 
ACN-047236 
102115-79-7 
Pseudo-protodioscin 
8229AH 
MFCD04039839 
115P797 
Q-100962 
beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)furosta-5,20(22)-dien-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-->4)]- 
C51H82O21 
Literature
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