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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006515

(1S,4S,7S,8S,9S,11S,13S,14S,23R,24R,25S,26R,27S,29S,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,59-decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione

Formula: C65H102O31  |  Mol. Weight: 1379.50 g/mol

IUPAC: (1S,4S,7S,8S,9S,11S,13S,14S,23R,24R,25S,26R,27S,29S,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,59-decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione

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Overview

Molecular Formula C65H102O31
Molecular Weight 1379.50 g/mol
Canonical SMILES CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy