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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006772

(1R,8S,9R,16R,18S,27S)-9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.01,13.03,12.06,11.018,27.020,25]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one

Formula: C30H24O12  |  Mol. Weight: 576.50 g/mol

IUPAC: (1R,8S,9R,16R,18S,27S)-9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.01,13.03,12.06,11.018,27.020,25]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one

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Overview

Molecular Formula C30H24O12
Molecular Weight 576.50 g/mol
Canonical SMILES C1C(C(OC2=C1C(=CC3=C2C4=CC(=O)C5(CC4(O3)C6C(O5)CC7=C(C=C(C=C7O6)O)O)O)O)C8=CC(=C(C=C8)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy