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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001951

(Z)-3-[(1S,2S,4S,5S,6S,7S)-5-hydroxy-10-methoxycarbonyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5-carbonyl]oxy-2-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Formula: C27H30O17  |  Mol. Weight: 626.50 g/mol

IUPAC: (Z)-3-[(1S,2S,4S,5S,6S,7S)-5-hydroxy-10-methoxycarbonyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5-carbonyl]oxy-2-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

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Overview

Molecular Formula C27H30O17
Molecular Weight 626.50 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C(=COC(=O)C2(C3C(C4C2O4)C(=COC3OC5C(C(C(C(O5)CO)O)O)O)C(=O)OC)O)C(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy