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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035596

(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-4,5,6,17,18,19-hexahydroxy-13,26-dimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione

Formula: C28H32O16  |  Mol. Weight: 624.50 g/mol

IUPAC: (3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-4,5,6,17,18,19-hexahydroxy-13,26-dimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione

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Overview

Molecular Formula C28H32O16
Molecular Weight 624.50 g/mol
Canonical SMILES COC1=C2C=CC(=C1)C(=O)OCC3C(C(C(C(O3)OC4=C(C=C(C=C4)C(=O)OCC5C(C(C(C(O5)O2)O)O)O)OC)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy