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116271-35-3 | 4H-1-Benzopyran-4-one, 7-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-
CAS No: 116271-35-3 Catalog No: AG000C3O MDL No:
Product Description
Catalog Number:
AG000C3O
Chemical Name:
4H-1-Benzopyran-4-one, 7-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-
CAS Number:
116271-35-3
IUPAC Name:
(2S)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C26H30O14/c27-9-26(35)10-37-25(23(26)34)36-8-18-20(31)21(32)22(33)24(40-18)38-13-5-14(29)19-15(30)7-16(39-17(19)6-13)11-1-3-12(28)4-2-11/h1-6,16,18,20-25,27-29,31-35H,7-10H2/t16-,18+,20+,21-,22+,23-,24+,25+,26+/m0/s1
InChI Key:
NWNGXQLQGVWVHC-URWLGXSFSA-N
Properties
Complexity:
868
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
566.164g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
566.512g/mol
Monoisotopic Mass:
566.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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