Products for Research Use Only
RegisterLogin

Aceratioside

CAT: 0013-GTR19200617-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19200617-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Aceratioside is a novel tetralin glucoside compound investigated for its potential antineoplastic properties. Preliminary in vitro studies suggest it may inhibit proliferation in certain cancer cell lines, warranting further research into its mechanisms and therapeutic applications.
CAS Number
133084-09-0
Smiles
O (C1=C2C (C[C@@H] (C (O) =O) CC2) =CC (O) =C1) [C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O
Molecular Formula
C17H22O9
Molecular Weight
370.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aceratioside

from Aceratium megalospermum; structure given in first source

CAS Number133084-09-0
PubChem CID131588
IUPAC Name(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Molecular FormulaC17H22O9
Molecular Weight370.4
XLogP-0.4
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity501
SMILES
C1CC2=C(C[C@H]1C(=O)O)C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C17H22O9/c18-6-12-13(20)14(21)15(22)17(26-12)25-11-5-9(19)4-8-3-7(16(23)24)1-2-10(8)11/h4-5,7,12-15,17-22H,1-3,6H2,(H,23,24)/t7-,12+,13+,14-,15+,17+/m0/s1
InChIKey
LZKGKUKUSQNWFR-DTGGDYGMSA-N
Chemical Structure
2D Structure
2D structure of Aceratioside
CAS: 133084-09-0
CID: 131588
Formula: C17H22O9
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass370.12638228
Monoisotopic Mass370.12638228
Topological Polar Surface Area157 Ų
Heavy Atom Count26
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T23609-01Aceratioside

Popular Products