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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003654

(3S,4S)-5,6,7-trihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4-dihydroisochromen-1-one

Formula: C23H26O13  |  Mol. Weight: 510.40 g/mol

IUPAC: (3S,4S)-5,6,7-trihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4-dihydroisochromen-1-one

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Overview

Molecular Formula C23H26O13
Molecular Weight 510.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2C(OC(=O)C3=CC(=C(C(=C23)O)O)O)COC4C(C(C(C(O4)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy