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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038521

(3R,4R,5S,6S)-6-[(2R,3S,4R,5R)-6-carboxy-2-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C29H30O20  |  Mol. Weight: 698.50 g/mol

IUPAC: (3R,4R,5S,6S)-6-[(2R,3S,4R,5R)-6-carboxy-2-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C29H30O20
Molecular Weight 698.50 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy