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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004324

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate

Formula: C31H40O16  |  Mol. Weight: 668.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate

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Overview

Molecular Formula C31H40O16
Molecular Weight 668.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=C(C=C(C=C2OC)C(=O)OCC3C(C(C(C(O3)OC4=C(C=C(C=C4)C=CCO)OC)O)O)O)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy