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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011356

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[6,13-diacetyloxy-3,10-dioxo-14-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl]oxy]oxan-2-yl]methyl acetate

Formula: C46H46O28  |  Mol. Weight: 1046.80 g/mol

IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[6,13-diacetyloxy-3,10-dioxo-14-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl]oxy]oxan-2-yl]methyl acetate

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Overview

Molecular Formula C46H46O28
Molecular Weight 1046.80 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C4=C2OC(=O)C5=CC(=C(C(=C54)OC3=O)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy