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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019131

2-[[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-6-[4,5-dihydroxy-2-[[(1S,2R,7S,10R,11R,14R,15S,16S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-6-methyloxan-3-yl]oxyoxane-3,4,5-triol

Formula: C58H94O26  |  Mol. Weight: 1207.30 g/mol

IUPAC: 2-[[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-6-[4,5-dihydroxy-2-[[(1S,2R,7S,10R,11R,14R,15S,16S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-6-methyloxan-3-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C58H94O26
Molecular Weight 1207.30 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C4CCC5C6C(CC(OC67CC5(C4(CCC3C2(C)C)C)CO7)C=C(C)C)(C)O)C)OC8C(C(C(C(O8)COC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)CO)O)OC1C(C(C(CO1)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy