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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029435

[3-[3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-methylcyclopentyl]methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Formula: C43H60O23  |  Mol. Weight: 944.90 g/mol

IUPAC: [3-[3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-methylcyclopentyl]methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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Overview

Molecular Formula C43H60O23
Molecular Weight 944.90 g/mol
Canonical SMILES CC1C(CC(C1COC(=O)C2=COC(C(C2CC=O)C=C)OC3C(C(C(C(O3)CO)O)O)O)C(CO)C(=O)OC)OC(=O)C4=COC(C(C4CC=O)C=C)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy