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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004482

(2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5R,8aS)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

Formula: C31H52O12  |  Mol. Weight: 616.70 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5R,8aS)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol

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Overview

Molecular Formula C31H52O12
Molecular Weight 616.70 g/mol
Canonical SMILES CC(=CCO)CCC1C(=C)CCC2C1(CCC(C2(C)COC3C(C(C(C(O3)COC4C(C(C(O4)CO)O)O)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy