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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038720

3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one

Formula: C37H46O14  |  Mol. Weight: 714.80 g/mol

IUPAC: 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one

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Overview

Molecular Formula C37H46O14
Molecular Weight 714.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=C(C(=CC4=C3C(=O)C(=CO4)C5=C(C(=C(C=C5)O)CC=C(C)C)O)O)CC=C(C)C)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy