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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010884

[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C33H34O23  |  Mol. Weight: 798.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C33H34O23
Molecular Weight 798.60 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy