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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008550

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1S,2S,4S,8S,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-2-methylbutoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formula: C45H72O18  |  Mol. Weight: 901.00 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1S,2S,4S,8S,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-14-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-6-yl]-2-methylbutoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C45H72O18
Molecular Weight 901.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OCC(C)CCC3=C(C4C(O3)CC5C4(CCC6C5CC=C7C6(C(CC(C7)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy