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Glomeratose A

CAT: 0013-GTR19158224-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158224-07Size:50 mg
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Description
Glomeratose A is a lactate dehydrogenase inhibitor.
CAS Number
202471-84-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (177.77 mM)
Smiles
COc1cc (cc (OC) c1OC) \C=C\C (=O) O[C@H]1[C@H] (O) [C@@H] (CO) O[C@]1 (CO) O[C@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C24H34O15
Molecular Weight
562.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Glomeratose A

See also: Glomeratose A (annotation moved to).

CAS Number202471-84-9
PubChem CID73157754
IUPAC Name[4-hydroxy-2,5-bis(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Molecular FormulaC24H34O15
Molecular Weight562.5
XLogP-1.7
Topological Polar Surface Area223
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity798
SMILES
COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O
InChI
InChI=1S/C24H34O15/c1-33-12-6-11(7-13(34-2)21(12)35-3)4-5-16(28)37-22-18(30)15(9-26)38-24(22,10-27)39-23-20(32)19(31)17(29)14(8-25)36-23/h4-7,14-15,17-20,22-23,25-27,29-32H,8-10H2,1-3H3
InChIKey
PQHNJDATPYXLIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glomeratose A
CAS: 202471-84-9
CID: 73157754
Formula: C24H34O15
MW: 562.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.5
XLogP3-1.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass562.18977037
Monoisotopic Mass562.18977037
Topological Polar Surface Area223 Ų
Heavy Atom Count39
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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