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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012964

5-[(2R,3S,3aR,9bR)-2-[(1R)-1,2-dihydroxyethyl]-3,7,8,9-tetrahydroxy-5-oxo-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-6-yl]-6,7,13,14-tetrahydroxy-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: 5-[(2R,3S,3aR,9bR)-2-[(1R)-1,2-dihydroxyethyl]-3,7,8,9-tetrahydroxy-5-oxo-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-6-yl]-6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

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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=C6C(=C(C(=C5O)O)O)C7C(C(C(O7)C(CO)O)O)OC6=O)O)O)OC2=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy