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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038507

7-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3,5-dimethoxychromen-4-one

Formula: C29H34O16  |  Mol. Weight: 638.60 g/mol

IUPAC: 7-hydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3,5-dimethoxychromen-4-one

Overview

Molecular Formula C29H34O16
Molecular Weight 638.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=CC(=C3)C4=C(C(=O)C5=C(O4)C=C(C=C5OC)O)OC)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy