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Home Other Building Blocks Sagittatoside B

Sagittatoside B

CAS No.:
118525-36-3
Catalog Number:
AG008TN3
Molecular Formula:
C32H38O14
Molecular Weight:
646.6357
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$390
- +
5mg
99%
1 week
United States
$876
- +
10mg
99%
1 week
United States
$1335
- +
Product Description
Catalog Number:
AG008TN3
Chemical Name:
Sagittatoside B
CAS Number:
118525-36-3
Molecular Formula:
C32H38O14
Molecular Weight:
646.6357
MDL Number:
MFCD28411516
IUPAC Name:
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
InChI:
InChI=1S/C32H38O14/c1-13(2)5-10-17-18(33)11-19(34)21-24(38)29(27(44-28(17)21)15-6-8-16(41-4)9-7-15)45-32-30(25(39)22(36)14(3)43-32)46-31-26(40)23(37)20(35)12-42-31/h5-9,11,14,20,22-23,25-26,30-37,39-40H,10,12H2,1-4H3/t14-,20+,22-,23-,25+,26+,30+,31-,32-/m0/s1
InChI Key:
BVDGQVAUJNUPGW-JGSSSOFVSA-N
SMILES:
COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O
Properties
Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
646.226g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
646.642g/mol
Monoisotopic Mass:
646.226g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Simultaneous determination of 15 flavonoids in Epimedium using pressurized liquid extraction and high-performance liquid chromatography. Journal of chromatography. A 20070907
[Research on quality of Epimedium extract in market]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20070901
[Comment on main species of herba epimedii]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20030401
Properties