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30851-76-4 | ethoxazorutoside
CAS No: 30851-76-4 Catalog No: AG00C3EU MDL No:
Product Description
Catalog Number:
AG00C3EU
Chemical Name:
ethoxazorutoside
CAS Number:
30851-76-4
IUPAC Name:
5,7-dihydroxy-2-[3-hydroxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
InChI:
InChI=1S/C33H41NO17/c1-14-23(38)26(41)28(43)32(48-14)47-13-21-24(39)27(42)29(44)33(50-21)51-31-25(40)22-18(37)11-16(35)12-20(22)49-30(31)15-2-3-19(17(36)10-15)46-9-6-34-4-7-45-8-5-34/h2-3,10-12,14,21,23-24,26-29,32-33,35-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
InChI Key:
FPEWXTXBURZCKT-VVSTWUKXSA-N
EC Number:
250-358-9
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
723.237g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
723.681g/mol
Monoisotopic Mass:
723.237g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
267A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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