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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005745

[(2R,3S,4R,5R,6R)-3-benzoyloxy-6-[(2S,3S,4R,5R)-3-[(E)-3-[4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl benzoate

Formula: C48H58O25  |  Mol. Weight: 1035.00 g/mol

IUPAC: [(2R,3S,4R,5R,6R)-3-benzoyloxy-6-[(2S,3S,4R,5R)-3-[(E)-3-[4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl benzoate

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Overview

Molecular Formula C48H58O25
Molecular Weight 1035.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=C(C=C(C=C2)C=CC(=O)OC3C(C(OC3(CO)OC4C(C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O)O)CO)O)OC)O)O)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy