Compound BIMP025416

beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-

Formula: C₄₆H₆₈O₂₀ | Mol. Weight: 941.00 g/mol

IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C₄₆H₆₈O₂₀

Molecular Weight 941.00 g/mol

Canonical SMILES

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)CC=C5C3(CCC6(C5CC(=C)CC6)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C

Bioactivity of Indian Medicinal Plants

beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-

Overview

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

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