CAS 28757-27-9 | 4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)- | CAS Number 28757-27-9

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28757-27-9 | 4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-

CAS No: 28757-27-9 Catalog No: AG002WD0 MDL No:MFCD20275043

Product Description

Catalog Number:

AG002WD0

Chemical Name:

4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-

CAS Number:

28757-27-9

Molecular Formula:

C21H20O10

Molecular Weight:

432.3775

MDL Number:

MFCD20275043

IUPAC Name:

7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

InChI:

InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1

InChI Key:

ZFPMFULXUJZHFG-QNDFHXLGSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)cc(o3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:

675

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

432.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

432.381g/mol

Monoisotopic Mass:

432.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

166A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
[Study on chemical constituents of the Ixeris chinensis].	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20111101
Structural and enzymatic characterization of Os3BGlu6, a rice beta-glucosidase hydrolyzing hydrophobic glycosides and (1->3)- and (1->2)-linked disaccharides.	Plant physiology 20090901