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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009869

methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-[(E)-3-phenylprop-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: C42H52O14  |  Mol. Weight: 780.90 g/mol

IUPAC: methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetyloxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-[(E)-3-phenylprop-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 C42H52O14
Molecular Weight 780.90 g/mol
Canonical SMILES CC(C)C1=CC2(C3CC(C4(C3(OC5C4(C6C7(COC6(C(=O)OC)OC)C(CC(C8(C7C5OC8)C)OC(=O)C)OC(=O)C=CC9=CC=CC=C9)C)C)O)OC2O1)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy