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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000771

Spirostan-2-one, 3-[(O-beta-D-glucopyranosyl-(1-->3)-O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranosyl)oxy]-6-hydroxy-, (3beta,5alpha,6beta,25R)-

Formula: C56H90O29  |  Mol. Weight: 1227.30 g/mol

IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16R,18S,19R)-16-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-one

Overview

Molecular Formula C56H90O29
Molecular Weight 1227.30 g/mol
Canonical SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(=O)C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)O)C)C)OC1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy