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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007635

[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-3',16-dihydroxy-14-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9,13-dimethyl-5'-methylidene-4'-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate

Formula: C52H80O25  |  Mol. Weight: 1105.20 g/mol

IUPAC: [(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-3',16-dihydroxy-14-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9,13-dimethyl-5'-methylidene-4'-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate

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Overview

Molecular Formula C52H80O25
Molecular Weight 1105.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC(CC4=CCC5C(C34C)CCC6(C5CC7C6C(C8(O7)C(C(C(=C)CO8)OC9C(C(C(C(O9)C)O)O)O)O)COC(=O)C)C)O)CO)O)OC1C(C(C(CO1)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy