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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002364

(4aS,6R,8aS)-4,8a-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one

Formula: C27H44O13  |  Mol. Weight: 576.60 g/mol

IUPAC: (4aS,6R,8aS)-4,8a-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one

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Overview

Molecular Formula C27H44O13
Molecular Weight 576.60 g/mol
Canonical SMILES CC1=C(C(=O)CC2(C1CC(CC2)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)C)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy