BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000897

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

Formula: C44H70O17  |  Mol. Weight: 871.00 g/mol

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

3D View Find Similar

Overview

Molecular Formula C44H70O17
Molecular Weight 871.00 g/mol
Canonical SMILES CC1CC(C2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)C7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)O)C)OC1)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy