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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008149

(2S,3R,4S,5R)-2-[(1S,1'S,4R,4'R,5R,5'R,6'R,10'S,12'R,16'S,18'S,20'S,21'S)-2,20'-dihydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl]oxyoxane-3,4,5-triol

Formula: C35H52O10  |  Mol. Weight: 632.80 g/mol

IUPAC: (2S,3R,4S,5R)-2-[(1S,1'S,4R,4'R,5R,5'R,6'R,10'S,12'R,16'S,18'S,20'S,21'S)-2,20'-dihydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C35H52O10
Molecular Weight 632.80 g/mol
Canonical SMILES CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(CCC67CC68C(CC=C7C5(C4)C)C(C(CC8O)OC9C(C(C(CO9)O)O)O)(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy