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Liquiritin apioside

CAT: 0931-TL0002-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TL0002-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74639-14-8
Target
Others
Related Pathways
Others
Purity
0.9953
Bioactivity
Liquiritin Apioside is one of the main active components in Suan-Zao-Ren decoction as a treatment for insomnia.
Smiles
OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3ccc(O)cc3O2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
Molecular Formula
C26H30O13
Molecular Weight
550.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Liquiritin apioside

Liquiritin apioside is a glycoside and a member of flavonoids.

CAS Number74639-14-8
PubChem CID10076238
IUPAC Name(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
Molecular FormulaC26H30O13
Molecular Weight550.5
XLogP-0.8
Topological Polar Surface Area205
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity837
SMILES
C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O
InChI
InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1
InChIKey
FTVKHUHJWDMWIR-DWMQJYMWSA-N
Chemical Structure
2D Structure
2D structure of Liquiritin apioside
CAS: 74639-14-8
CID: 10076238
Formula: C26H30O13
MW: 550.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.5
XLogP3-0.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass550.16864101
Monoisotopic Mass550.16864101
Topological Polar Surface Area205 Ų
Heavy Atom Count39
Formal Charge0
Complexity837
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
300575Liquiritin apioside
HY-N1471RLiquiritin apioside (Standard)
sc-286137Liquiritin

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