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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014444

[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-(6,7-dioxochromeno[4,3-b]chromen-4-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula: C45H48O23  |  Mol. Weight: 956.80 g/mol

IUPAC: [(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-(6,7-dioxochromeno[4,3-b]chromen-4-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C45H48O23
Molecular Weight 956.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=CC4=C3OC(=O)C5=C4OC6=CC=CC=C6C5=O)COC7C(C(C(C(O7)COC(=O)C=CC8=CC(=C(C(=C8)OC)O)OC)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy