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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029315

29-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione

Formula: C42H32O23  |  Mol. Weight: 904.70 g/mol

IUPAC: 29-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione

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Overview

Molecular Formula C42H32O23
Molecular Weight 904.70 g/mol
Canonical SMILES C1C(C(OC2=C1C(=CC(=C2C3C4C5C(C(OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C(=C7O)O)O)C8=C(C3=C(C(=C8O)O)O)C(=O)O4)C(=O)O5)O)O)O)CO)O)O)O)C9=CC(=C(C=C9)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy