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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007278

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

Formula: C40H64O12  |  Mol. Weight: 736.90 g/mol

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

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Overview

Molecular Formula C40H64O12
Molecular Weight 736.90 g/mol
Canonical SMILES CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)OC7C(C(C(CO7)O)O)O)C)(C)OC8C(C(C(CO8)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy