Leonuriside A

CAT: 0013-GTR19279513-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19279513-02Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

Leonuriside A is a natural phenolic compound.

CAS Number

121748-12-7

Smiles

O (C1=C (OC) C=C (O) C=C1OC) [C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O

Molecular Formula

C14H20O9

Molecular Weight

332.31

Notes

For research use only.

Chemical Information

Leonuriside

CAS Number	121748-12-7
PubChem CID	14237626
IUPAC Name	(2S,3R,4S,5S,6R)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C14H20O9
Molecular Weight	332.30
XLogP	-0.9
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	354

SMILES

COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O

InChI

InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3/t9-,10-,11+,12-,14+/m1/s1

InChIKey

NOQYJICHFNSIFZ-DIACKHNESA-N

Chemical Structure

2D Structure

CAS: 121748-12-7

CID: 14237626

Formula: C14H20O9

MW: 332.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.30
XLogP3	-0.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	332.11073221
Monoisotopic Mass	332.11073221
Topological Polar Surface Area	138 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-L329610-25MG	Leonuriside A