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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008367

[(2S,3R,4R,5R,6R)-3-hydroxy-5-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] 3-(3,4-dihydroxyphenyl)propanoate

Formula: C31H38O16  |  Mol. Weight: 666.60 g/mol

IUPAC: [(2S,3R,4R,5R,6R)-3-hydroxy-5-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] 3-(3,4-dihydroxyphenyl)propanoate

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Overview

Molecular Formula C31H38O16
Molecular Weight 666.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)OC)O)CO)OC(=O)CCC4=CC(=C(C=C4)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy