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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039401

7-hydroxy-8-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Formula: C31H38O17  |  Mol. Weight: 682.60 g/mol

IUPAC: 7-hydroxy-8-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

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Overview

Molecular Formula C31H38O17
Molecular Weight 682.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=C(C(=C(C3=C2C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)OC)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy