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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018903

(1R,3S,5R,6R,7S,10E,11E,15R,16S,17S,18R)-6,16,17,18-tetrahydroxy-10-[(4-hydroxy-2,3-dimethoxyphenyl)methylidene]-11-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3,5-bis(hydroxymethyl)-2,4,8,13,19-pentaoxatricyclo[13.3.1.03,7]nonadecane-9,12-dione

Formula: C34H40O19  |  Mol. Weight: 752.70 g/mol

IUPAC: (1R,3S,5R,6R,7S,10E,11E,15R,16S,17S,18R)-6,16,17,18-tetrahydroxy-10-[(4-hydroxy-2,3-dimethoxyphenyl)methylidene]-11-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3,5-bis(hydroxymethyl)-2,4,8,13,19-pentaoxatricyclo[13.3.1.03,7]nonadecane-9,12-dione

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Overview

Molecular Formula C34H40O19
Molecular Weight 752.70 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=C2C(=CC3=C(C(=C(C=C3)O)OC)OC)C(=O)OC4C(C(OC4(OC5C(C(C(C(O5)COC2=O)O)O)O)CO)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy