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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022874

(3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)-3,4,5-tris(3,4,5-trihydroxybenzoyl)-1,7-bis(3,4,5-trihydroxyphenyl)heptane-1,2,7-trione

Formula: C41H32O26  |  Mol. Weight: 940.70 g/mol

IUPAC: (3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)-3,4,5-tris(3,4,5-trihydroxybenzoyl)-1,7-bis(3,4,5-trihydroxyphenyl)heptane-1,2,7-trione

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Overview

Molecular Formula C41H32O26
Molecular Weight 940.70 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(C(=O)C2=CC(=C(C(=C2)O)O)O)(C(C(=O)C3=CC(=C(C(=C3)O)O)O)(C(C(=O)C4=CC(=C(C(=C4)O)O)O)(C(CO)(C(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy