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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002505

7-[4-[(2S,3R,4S,5S,6R)-3-(4-acetyl-2-methoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one

Formula: C38H40O19  |  Mol. Weight: 800.70 g/mol

IUPAC: 7-[4-[(2S,3R,4S,5S,6R)-3-(4-acetyl-2-methoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one

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Overview

Molecular Formula C38H40O19
Molecular Weight 800.70 g/mol
Canonical SMILES CC(=O)C1=CC(=C(C=C1)OC2C(C(C(OC2OC3=C(C=C(C=C3)C4=COC5=CC6=C(C(=C5C4=O)OC)OCO6)OC7C(C(C(C(O7)CO)O)O)O)CO)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy