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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038937

(9S)-5,9-dihydroxy-2-methyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-8H-pyrano[2,3-g][1]benzoxepin-4-one

Formula: C27H34O16  |  Mol. Weight: 614.50 g/mol

IUPAC: (9S)-5,9-dihydroxy-2-methyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-8H-pyrano[2,3-g][1]benzoxepin-4-one

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Overview

Molecular Formula C27H34O16
Molecular Weight 614.50 g/mol
Canonical SMILES CC1=CC(=O)C2=C(O1)C3=C(C=C2O)OCC(C=C3)(COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy