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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001782

(2S,3R,4S,5S)-2-[[(2R,3S,7R,9S,12R,14S,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl]oxy]oxane-3,4,5-triol

Formula: C35H54O10  |  Mol. Weight: 634.80 g/mol

IUPAC: (2S,3R,4S,5S)-2-[[(2R,3S,7R,9S,12R,14S,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl]oxy]oxane-3,4,5-triol

Overview

Molecular Formula C35H54O10
Molecular Weight 634.80 g/mol
Canonical SMILES CC1CC2C(OC3(C1C4(C(CC56CC57CCC(C(C7CC=C6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)O)C)O2)C(C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy