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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002305

[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-2-[(1S,2S,3'R,4R,4'R,6R,7S,8S,9R,12R,13R,16R)-4'-[[(2S,5S,6S,7R,8S,10R)-6,7-dihydroxy-2-[(2S)-2-hydroxybutan-2-yl]-10-methyl-3-oxo-1,4,9-trioxaspiro[4.5]decan-8-yl]oxy]-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate

Formula: C56H82O24  |  Mol. Weight: 1139.20 g/mol

IUPAC: [(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-2-[(1S,2S,3'R,4R,4'R,6R,7S,8S,9R,12R,13R,16R)-4'-[[(2S,5S,6S,7R,8S,10R)-6,7-dihydroxy-2-[(2S)-2-hydroxybutan-2-yl]-10-methyl-3-oxo-1,4,9-trioxaspiro[4.5]decan-8-yl]oxy]-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate

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Overview

Molecular Formula C56H82O24
Molecular Weight 1139.20 g/mol
Canonical SMILES CCC(C)(C1C(=O)OC2(O1)C(OC(C(C2O)O)OC3C(C4(C(C5C(O4)CC6C5(CCC7C6CC=C8C7(C(CC(C8)O)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C)OCC3=C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy