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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023873

(3I(2),22I+/-,25S)-22,25-Epoxy-26-hydroxyfurost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a4)-O-[O-I(2)-D-glucopyranosyl-(1a3)-I(2)-D-glucopyranosyl-(1a2)]-I(2)-D-glucopyranoside

Formula: C51H82O23  |  Mol. Weight: 1063.20 g/mol

IUPAC: 2-[5-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-[5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C51H82O23
Molecular Weight 1063.20 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C)OC11CCC(O1)(C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy