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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018849

(3R,4R,5S)-14'-[(2S,3R,4S,5R)-5-hydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7',9',13'-tetramethylspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene]-3,4,16'-triol

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

IUPAC: (3R,4R,5S)-14'-[(2S,3R,4S,5R)-5-hydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7',9',13'-tetramethylspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene]-3,4,16'-triol

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Overview

Molecular Formula C44H70O17
Molecular Weight 871.00 g/mol
Canonical SMILES CC1COC2(CC3CC4C5CC=C6CC(CC(C6(C5CCC4(C3C2C)C)C)OC7C(C(C(CO7)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C(C1O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy