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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038505

(10S)-1,8,10-trihydroxy-6-methyl-10-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(9R)-4,5,9-trihydroxy-2-(hydroxymethyl)-10-oxoanthracen-9-yl]anthracen-9-one

Formula: C36H32O14  |  Mol. Weight: 688.60 g/mol

IUPAC: (10S)-1,8,10-trihydroxy-6-methyl-10-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(9R)-4,5,9-trihydroxy-2-(hydroxymethyl)-10-oxoanthracen-9-yl]anthracen-9-one

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Overview

Molecular Formula C36H32O14
Molecular Weight 688.60 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=CC(=C3O)C5(C6=C(C(=CC=C6)O)C(=O)C7=C5C=C(C=C7O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy