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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027008

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-methoxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Formula: C30H34O17  |  Mol. Weight: 666.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-methoxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Overview

Molecular Formula C30H34O17
Molecular Weight 666.60 g/mol
Canonical SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy