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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017344

[4-[(2S,3S,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]-3,5-dihydroxyphenyl]methyl 4-hydroxy-3,5-dimethoxybenzoate

Formula: C35H48O22  |  Mol. Weight: 820.70 g/mol

IUPAC: [4-[(2S,3S,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]-3,5-dihydroxyphenyl]methyl 4-hydroxy-3,5-dimethoxybenzoate

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Overview

Molecular Formula C35H48O22
Molecular Weight 820.70 g/mol
Canonical SMILES COC1C(C(C(OC1C2=C(C=C(C=C2O)COC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy