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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012446

3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy]phenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Formula: C66H75O39+  |  Mol. Weight: 1492.30 g/mol

IUPAC: 3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy]phenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

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Overview

Molecular Formula C66H75O39+
Molecular Weight 1492.30 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)C7=[O+]C8=CC(=CC(=C8C=C7OC9C(C(C(C(O9)COC(=O)CC(=O)O)O)O)O)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy