Compound BIMP001829

I(2)-D-Glucopyranosiduronic acid, (3I(2),21I(2))-28-(I(2)-D-glucopyranosyloxy)-21-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-

Formula: C₅₄H₈₆O₂₅ | Mol. Weight: 1135.20 g/mol

IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,10S,12aS,14aR,14bR)-10-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-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]-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

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Overview

Molecular Formula C₅₄H₈₆O₂₅

Molecular Weight 1135.20 g/mol

Canonical SMILES

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C)C)(C)C)OC7C(C(C(C(O7)C(=O)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C

Bioactivity of Indian Medicinal Plants

I(2)-D-Glucopyranosiduronic acid, (3I(2),21I(2))-28-(I(2)-D-glucopyranosyloxy)-21-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-

Overview

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

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