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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008901

[(2R,3R,4S,4aS,10bS)-3,8,10-trihydroxy-9-methoxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C28H24O17  |  Mol. Weight: 632.50 g/mol

IUPAC: [(2R,3R,4S,4aS,10bS)-3,8,10-trihydroxy-9-methoxy-6-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C28H24O17
Molecular Weight 632.50 g/mol
Canonical SMILES COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC2=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy