BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038304

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Formula: C38H46O21  |  Mol. Weight: 838.80 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

3D View Find Similar

Overview

Molecular Formula C38H46O21
Molecular Weight 838.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)O)O)O)O)O)O)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy