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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001738

(1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside

Formula: C21H32O14  |  Mol. Weight: 508.50 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C21H32O14
Molecular Weight 508.50 g/mol
Canonical SMILES C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy