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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038576

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

Formula: C34H40O14  |  Mol. Weight: 672.70 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

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Overview

Molecular Formula C34H40O14
Molecular Weight 672.70 g/mol
Canonical SMILES COC1=CC(=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C=C5)O)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy