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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016877

(3R)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

Formula: C21H28O13  |  Mol. Weight: 488.40 g/mol

IUPAC: (3R)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one

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Overview

Molecular Formula C21H28O13
Molecular Weight 488.40 g/mol
Canonical SMILES CC1CC2=C(C(=CC(=C2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)O)C(=O)O1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy