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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034496

(3R)-5-[[(1S,3S,4R,4aR,8S,8aS)-8-hydroxy-5,8a-dimethyl-3-propan-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula: C27H44O12  |  Mol. Weight: 560.60 g/mol

IUPAC: (3R)-5-[[(1S,3S,4R,4aR,8S,8aS)-8-hydroxy-5,8a-dimethyl-3-propan-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

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Overview

Molecular Formula C27H44O12
Molecular Weight 560.60 g/mol
Canonical SMILES CC1=CCC(C2(C1C(C(CC2OC(=O)CC(C)(CC(=O)O)O)C(C)C)OC3C(C(C(C(O3)CO)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy