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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008502

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methyl 2-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]acetate

Formula: C34H44O17  |  Mol. Weight: 724.70 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methyl 2-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]acetate

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Overview

Molecular Formula C34H44O17
Molecular Weight 724.70 g/mol
Canonical SMILES COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC(=O)CC3CC4C(C(OC=C4C(=O)O3)OC5C(C(C(C(O5)CO)O)O)O)C=C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy