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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012185

Anguivioside B

Formula: C48H74O20  |  Mol. Weight: 971.10 g/mol

IUPAC: 3-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6S,6'R,7S,8R,9S,12S,13R,16S)-6'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-3-oxopropanoic acid

Overview

Molecular Formula C48H74O20
Molecular Weight 971.10 g/mol
Canonical SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)OC(=O)CC(=O)O)O)O)C)C)C)OC1O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy