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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032106

(2R,3R,4S,5S,6R)-2-[[(1R,2R,5R,7S,10R,11R,13R,15R,17S,18S,21R)-1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-enyl)-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosan-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C42H70O13  |  Mol. Weight: 783.00 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1R,2R,5R,7S,10R,11R,13R,15R,17S,18S,21R)-1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-enyl)-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosan-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C42H70O13
Molecular Weight 783.00 g/mol
Canonical SMILES CC(=CC1CC(C2CCC3(C2C(O1)CC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C)(C)OC7C(C(C(C(O7)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy