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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010170

(3R,4As,5R,6S)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

Formula: C28H36O12  |  Mol. Weight: 564.60 g/mol

IUPAC: (3R,4aS,5R,6S)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one

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Overview

Molecular Formula C28H36O12
Molecular Weight 564.60 g/mol
Canonical SMILES C=CC1C2CC(OC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)CC(=O)CC(CCC4=CC=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy