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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003980

[(3S,4R,5S)-5-[(2S,3R,4S,5R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Formula: C40H43O21+  |  Mol. Weight: 859.80 g/mol

IUPAC: [(3S,4R,5S)-5-[(2S,3R,4S,5R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C40H43O21+
Molecular Weight 859.80 g/mol
Canonical SMILES C1C(C(C(C(O1)OC2=C([O+]=C3C=C(C=C(C3=C2)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC(=C(C=C5)O)O)OC6C(C(CO6)(COC(=O)C=CC7=CC=C(C=C7)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy