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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001777

(2R,3S,9S,10S,13R,14S,21S,22R)-10-(3,5-dihydroxyphenyl)-3,9,14,22-tetrakis(4-hydroxyphenyl)-8,23-dioxaheptacyclo[19.6.1.02,13.04,12.07,11.015,20.024,28]octacosa-1(28),4(12),5,7(11),15(20),16,18,24,26-nonaene-5,16,18,26-tetrol

Formula: C56H42O12  |  Mol. Weight: 906.90 g/mol

IUPAC: (2R,3S,9S,10S,13R,14S,21S,22R)-10-(3,5-dihydroxyphenyl)-3,9,14,22-tetrakis(4-hydroxyphenyl)-8,23-dioxaheptacyclo[19.6.1.02,13.04,12.07,11.015,20.024,28]octacosa-1(28),4(12),5,7(11),15(20),16,18,24,26-nonaene-5,16,18,26-tetrol

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Overview

Molecular Formula C56H42O12
Molecular Weight 906.90 g/mol
Canonical SMILES C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC1=C9C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy