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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039103

(3aR,4S,6E,10E,11aS)-4-hydroxy-3-methylidene-2-oxo-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

Formula: C21H28O10  |  Mol. Weight: 440.40 g/mol

IUPAC: (3aR,4S,6E,10E,11aS)-4-hydroxy-3-methylidene-2-oxo-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

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Overview

Molecular Formula C21H28O10
Molecular Weight 440.40 g/mol
Canonical SMILES C=C1C2C(CC(=CCCC(=CC2OC1=O)COC3C(C(C(C(O3)CO)O)O)O)C=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy