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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001049

4H-1-Benzopyran-4-one, 7-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-

Formula: C50H60O30  |  Mol. Weight: 1141.00 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C50H60O30
Molecular Weight 1141.00 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=C(OC5=CC(=CC(=C5C4=O)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C8=CC=C(C=C8)O)CO)O)O)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy