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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020047

[(10R,11S,12R,13R,15R)-3,4,5,13,21,22,23-heptamethoxy-8,18-dioxo-11-(3,4,5-trimethoxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(11R,12S,13R,31R,33S)-4,5,18,19,20,23,24,25,38,39-decamethoxy-9,15,28,35-tetraoxo-12-(3,4,5-trimethoxybenzoyl)oxy-2,10,14,29,32,34-hexaoxaheptacyclo[34.3.1.03,8.011,33.013,31.016,21.022,27]tetraconta-1(39),3,5,7,16,18,20,22,24,26,36(40),37-dodecaen-6-yl]oxy]-3,4,5-trimethoxybenzoate

Formula: C101H104O48  |  Mol. Weight: 2085.90 g/mol

IUPAC: [(10R,11S,12R,13R,15R)-3,4,5,13,21,22,23-heptamethoxy-8,18-dioxo-11-(3,4,5-trimethoxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(11R,12S,13R,31R,33S)-4,5,18,19,20,23,24,25,38,39-decamethoxy-9,15,28,35-tetraoxo-12-(3,4,5-trimethoxybenzoyl)oxy-2,10,14,29,32,34-hexaoxaheptacyclo[34.3.1.03,8.011,33.013,31.016,21.022,27]tetraconta-1(39),3,5,7,16,18,20,22,24,26,36(40),37-dodecaen-6-yl]oxy]-3,4,5-trimethoxybenzoate

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Overview

Molecular Formula C101H104O48
Molecular Weight 2085.90 g/mol
Canonical SMILES COC1C(C(C2C(O1)COC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O2)OC)OC)OC)OC)OC)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC)OC(=O)C6=CC(=C(C(=C6OC7=C(C(=C8C(=C7)C(=O)OC9C(C1C(COC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)OC)OC)OC)OC)OC)OC)OC9OC(=O)C1=CC(=C(C(=C1)OC)OC)O8)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)OC)OC)OC)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy