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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007804

(1S,13R,21S)-5-(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one

Formula: C30H20O12  |  Mol. Weight: 572.50 g/mol

IUPAC: (1S,13R,21S)-5-(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one

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Overview

Molecular Formula C30H20O12
Molecular Weight 572.50 g/mol
Canonical SMILES C1=CC(=CC=C1C23C(C(C4=C(C=C(C=C4O2)O)O)C5=C(O3)C=C(C6=C5OC(=C(C6=O)O)C7=CC(=C(C=C7)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy