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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012257

(3S)-3-(3-hydroxy-4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one

Formula: C22H24O10  |  Mol. Weight: 448.40 g/mol

IUPAC: (3S)-3-(3-hydroxy-4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one

Overview

Molecular Formula C22H24O10
Molecular Weight 448.40 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C2CC3=C(C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O2)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy