Diosmin

CAT: 0127-BIK9004-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-BIK9004-02Size:100 g

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CAS Number

520-27-4

Synonyms

3',5,7-Trihydroxy-4'-methoxyflavone 7-rutinoside

MDL Number

MFCD00009772

Purity

95%

Smiles

COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

Additionnal Information

Store at 2-8°C

Storage Conditions

Store at 2-8°C

Chemical Information

Diosmin

Diosmin is a disaccharide derivative that consists of diosmetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an antioxidant and an anti-inflammatory agent. It is a monomethoxyflavone, a rutinoside, a dihydroxyflavanone, a glycosyloxyflavone and a disaccharide derivative. It is functionally related to a diosmetin.

CAS Number	520-27-4
PubChem CID	5281613
IUPAC Name	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(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
Molecular Formula	C28H32O15
Molecular Weight	608.5
XLogP	-0.8
Topological Polar Surface Area	234
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Heavy Atom Count	43
Formal Charge	0
Complexity	995

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

InChI

InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

InChIKey

GZSOSUNBTXMUFQ-YFAPSIMESA-N

Chemical Structure

2D Structure

CAS: 520-27-4

CID: 5281613

Formula: C28H32O15

MW: 608.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	608.5
XLogP3	-0.8
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Exact Mass	608.17412031
Monoisotopic Mass	608.17412031
Topological Polar Surface Area	234 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	995
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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OR1026166-01	Dioscin
BUP00105-01	Dioscin
BUP11854-01	Diosmetin
BIDF1026-01	Diosmetin
BICR257	Diosmetin-D3
OR1079586-01	1,3-Diolein
BUP04355-01	Diosmetin-7-O-ß-D-glucopyranoside
BUP00502-01	DiosMetin 7-O-ß-D-Glucuronide
BICL5032-01	Diosmetin 7-O-beta-D-glucuronide
BICL4329-01	Diosmetin 3'-O-beta-D-glucuronide

Alternative Products

Catalog	Name
TRC-D485200-10G	Diosmin

Diosmin

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