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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008152

[(2S,3R,4R,5R,6S)-4-hydroxy-5-(4-hydroxybenzoyl)oxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] 4-hydroxybenzoate

Formula: C35H40O18  |  Mol. Weight: 748.70 g/mol

IUPAC: [(2S,3R,4R,5R,6S)-4-hydroxy-5-(4-hydroxybenzoyl)oxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] 4-hydroxybenzoate

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Overview

Molecular Formula C35H40O18
Molecular Weight 748.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C6=CC=C(C=C6)O)O)OC(=O)C7=CC=C(C=C7)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy