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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009870

methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-25-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(E)-2-methylbut-2-enoyl]oxy-12-propan-2-yl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate

Formula: C38H52O14  |  Mol. Weight: 732.80 g/mol

IUPAC: methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-25-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-23-[(E)-2-methylbut-2-enoyl]oxy-12-propan-2-yl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate

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Overview

Molecular Formula C38H52O14
Molecular Weight 732.80 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C23COC(C2C4(C(C5C3C1(CO5)C)OC6(C4(C7CC6C8(C=C(OC8O7)C(C)C)O)O)C)C)(C(=O)OC)OC)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy