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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003410

(2R,3R,4S,5S,6R)-2-[(3S,5S,6E,10R,11R,14E,16S,18S)-3,18-dihydroxy-3,7,14,18-tetramethyl-10,11-bis(prop-1-en-2-yl)-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-1,6,14,19-tetraen-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C42H70O14  |  Mol. Weight: 799.00 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[(3S,5S,6E,10R,11R,14E,16S,18S)-3,18-dihydroxy-3,7,14,18-tetramethyl-10,11-bis(prop-1-en-2-yl)-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-1,6,14,19-tetraen-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C42H70O14
Molecular Weight 799.00 g/mol
Canonical SMILES CC(=C)C(CCC(=CC(CC(C)(C=C)O)OC1C(C(C(C(O1)CO)O)O)O)C)C(CCC(=CC(CC(C)(C=C)O)OC2C(C(C(C(O2)CO)O)O)O)C)C(=C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy