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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009181

[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6S)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,10,14-trimethylhexadeca-2,6,10,15-tetraen-2-yl]oxy-4,5-dihydroxy-2-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-5-hydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2E,6E,10Z,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,15-tetraenoate

Formula: C87H142O43  |  Mol. Weight: 1876.00 g/mol

IUPAC: [(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6S)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,10,14-trimethylhexadeca-2,6,10,15-tetraen-2-yl]oxy-4,5-dihydroxy-2-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-5-hydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2E,6E,10Z,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,15-tetraenoate

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Overview

Molecular Formula C87H142O43
Molecular Weight 1876.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)OC6C(C(C(C(O6)C)O)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)CO)C)O)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy