Lalioside

CAT: 0013-GTR19193981-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19193981-02Size:50 mg

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Description

Lalioside

CAS Number

116964-03-5

Smiles

O (C1=C (C (C) =O) C (O) =CC (O) =C1O) [C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O

Molecular Formula

C14H18O10

Molecular Weight

346.29

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Lalioside

CAS Number	116964-03-5
PubChem CID	189452
IUPAC Name	1-[3,4,6-trihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Molecular Formula	C14H18O10
Molecular Weight	346.29
XLogP	-1.1
Topological Polar Surface Area	177
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	445

SMILES

CC(=O)C1=C(C(=C(C=C1O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C14H18O10/c1-4(16)8-5(17)2-6(18)9(19)13(8)24-14-12(22)11(21)10(20)7(3-15)23-14/h2,7,10-12,14-15,17-22H,3H2,1H3/t7-,10-,11+,12-,14+/m1/s1

InChIKey

ZLGYDHODHCRHMW-WHFNTLTKSA-N

Chemical Structure

2D Structure

CAS: 116964-03-5

CID: 189452

Formula: C14H18O10

MW: 346.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.29
XLogP3	-1.1
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	346.08999677
Monoisotopic Mass	346.08999677
Topological Polar Surface Area	177 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	445
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
FL170062-01	Lalioside