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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003976

(2R,3S,4R,5S)-2-[(1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3'-yl]oxyoxane-3,4,5-triol

Formula: C43H70O17  |  Mol. Weight: 859.00 g/mol

IUPAC: (2R,3S,4R,5S)-2-[(1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3'-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C43H70O17
Molecular Weight 859.00 g/mol
Canonical SMILES CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)O)C)C)C)OC1)OC9C(C(C(CO9)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy