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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003487

(2R,3R,4S,5S,6R)-2-[[(1S,2R,5R,7S,10R,11R,15S,19S,20S,21S,23R)-7-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-20-(hydroxymethyl)-1,2,6,6,10,17,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-19-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C58H94O27  |  Mol. Weight: 1223.30 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2R,5R,7S,10R,11R,15S,19S,20S,21S,23R)-7-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-20-(hydroxymethyl)-1,2,6,6,10,17,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-19-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C58H94O27
Molecular Weight 1223.30 g/mol
Canonical SMILES CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(C6C(C2(C(C1)OC7C(C(C(C(O7)CO)O)O)O)CO)O6)C)C)(C)C)OC8C(C(C(CO8)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy