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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010201

(2S,3R,4S,5S,6R)-2-[3-[(1S,2S,3S,4S)-2,3-bis(4-hydroxyphenyl)-4-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]cyclobutyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C40H44O16  |  Mol. Weight: 780.80 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[3-[(1S,2S,3S,4S)-2,3-bis(4-hydroxyphenyl)-4-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]cyclobutyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C40H44O16
Molecular Weight 780.80 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C(C2C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)C7=CC=C(C=C7)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy