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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034062

methyl (1S,4aS,5R,6R,7S,7aR)-5,6-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Formula: C17H26O12  |  Mol. Weight: 422.40 g/mol

IUPAC: methyl (1S,4aS,5R,6R,7S,7aR)-5,6-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C17H26O12
Molecular Weight 422.40 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1C(C(C2CO)O)O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy