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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006808

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

Formula: C35H40O19  |  Mol. Weight: 764.70 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxan-2-yl]oxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

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Overview

Molecular Formula C35H40O19
Molecular Weight 764.70 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC(=C(C=C3)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C=C5)O)OC)O)O)O)OC)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy