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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014718

2-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one

Formula: C27H30O13  |  Mol. Weight: 562.50 g/mol

IUPAC: 2-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one

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Overview

Molecular Formula C27H30O13
Molecular Weight 562.50 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)OC)O)O)OC5C(C(C(CO5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy