Kickxioside

CAT: 0931-T126396-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T126396-02Size:5 mg

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CAS Number

110906-83-7

Target

Others

Related Pathways

Others

Bioactivity

Kickxioside is a natural product that can be used as a reference standard. The CAS number of Kickxioside is 110906-83-7.

Smiles

[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]1(O)[C@H](OC(=O)C(\C)=C\CC[C@](C)(O)C=C)[C@@H]1O[C@]21C

Molecular Formula

C25H36O12

Molecular Weight

528.551

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Kickxioside

[(1S,2R,4S,5R,6S,10S)-6-hydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate is a terpene glycoside.

CAS Number	110906-83-7
PubChem CID	23757047
IUPAC Name	[(1S,2R,4S,5R,6S,10S)-6-hydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
Molecular Formula	C25H36O12
Molecular Weight	528.5
XLogP	-1
Topological Polar Surface Area	188
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Heavy Atom Count	37
Formal Charge	0
Complexity	952

SMILES

C/C(=C\CC[C@@](C)(C=C)O)/C(=O)O[C@@H]1[C@H]2[C@](O2)([C@@H]3[C@]1(C=CO[C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C

InChI

InChI=1S/C25H36O12/c1-5-23(3,31)8-6-7-12(2)20(30)35-19-18-24(4,37-18)17-22(33-10-9-25(17,19)32)36-21-16(29)15(28)14(27)13(11-26)34-21/h5,7,9-10,13-19,21-22,26-29,31-32H,1,6,8,11H2,2-4H3/b12-7+/t13-,14-,15+,16-,17-,18+,19-,21+,22+,23-,24-,25+/m1/s1

InChIKey

PRWWZXHOHQRKDQ-SVDQWWJBSA-N

Chemical Structure

2D Structure

CAS: 110906-83-7

CID: 23757047

Formula: C25H36O12

MW: 528.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	528.5
XLogP3	-1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Exact Mass	528.22067658
Monoisotopic Mass	528.22067658
Topological Polar Surface Area	188 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	952
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19232079-01	Kickxioside

Kickxioside

Chemical Information

Alternative Products

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