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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036969

(1S,5S,6R,13R)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one

Formula: C30H22O11  |  Mol. Weight: 558.50 g/mol

IUPAC: (1S,5S,6R,13R)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one

Overview

Molecular Formula C30H22O11
Molecular Weight 558.50 g/mol
Canonical SMILES C1C(C(OC2=C1C(=CC3=C2C4(C(=O)C5=C(C=C(C=C5OC4(O3)C6=CC=C(C=C6)O)O)O)O)O)C7=CC=C(C=C7)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy