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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003913

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formula: C52H86O22  |  Mol. Weight: 1063.20 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C52H86O22
Molecular Weight 1063.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(COC3OC4CCC56CC57CCC8(C(C(CC8(C7CC(C6C4(C)C)OC9C(C(C(C(O9)CO)O)O)O)C)O)C1(CCC(C(O1)(C)C)O)C)C)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy