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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018887

methyl (1S,4aS,5S,7aS)-1-[(2S,3R,4S,5R,6R)-6-[[(1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Formula: C37H48O23S2  |  Mol. Weight: 924.90 g/mol

IUPAC: methyl (1S,4aS,5S,7aS)-1-[(2S,3R,4S,5R,6R)-6-[[(1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C37H48O23S2
Molecular Weight 924.90 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1C(C=C2COC(=O)SC)O)OC3C(C(C(C(O3)COC(=O)C4=COC(C5C4C(C=C5COC(=O)SC)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy