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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003218

(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-16-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C44H74O18  |  Mol. Weight: 891.00 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-16-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C44H74O18
Molecular Weight 891.00 g/mol
Canonical SMILES CC(CCC(C(C)C1C(CC2C1(CCC3C2CCC4=CC(CCC34C)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)OC7C(C(C(CO7)O)O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy