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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002214

(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

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

IUPAC: (1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C21H32O14
Molecular Weight 508.50 g/mol
Canonical SMILES CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy