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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012289

6,7,13,14-tetrahydroxy-5-[5,6,7-trihydroxy-1-oxo-3-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

Formula: C27H18O17  |  Mol. Weight: 614.40 g/mol

IUPAC: 6,7,13,14-tetrahydroxy-5-[5,6,7-trihydroxy-1-oxo-3-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

Overview

Molecular Formula C27H18O17
Molecular Weight 614.40 g/mol
Canonical SMILES C1=C2C3=C(C(=C1O)O)OC(=O)C4=C3C(=C(C(=C4C5=C(C(=C(C6=C5C(=O)OC(=C6)C(C(C(CO)O)O)O)O)O)O)O)O)OC2=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy