ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

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Parameters Provided:

name.synonym = (5beta)-3beta-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide; 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-; BRN 0100752; C30H46O8; Digitoxigenin   thevetose [German]; EINECS
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '(5beta)-3beta-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide; 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-; BRN 0100752; C30H46O8; Digitoxigenin   thevetose [German]; EINECS' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

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//zinc12.docking.org/results/combination?name.synonym=%285beta%29-3beta-%28%286-Deoxy-3-O-methyl-alpha-L-glucopyranosyl%29oxy%29-14-hydroxycard-20%2822%29-enolide%3B+5-beta-Card-20%2822%29-enolide%2C+3-beta-%28%286-deoxy-3-O-methyl-beta-L-glucopyranosyl%29oxy%29-14-hydroxy-%3B+BRN+0100752%3B+C30H46O8%3B+Digitoxigenin+++thevetose+%5BGerman%5D%3B+EINECS&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "(5beta)-3beta-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide; 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-; BRN 0100752; C30H46O8; Digitoxigenin thevetose [German]; EINECS" }); </script>