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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027475

(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C32H54O12  |  Mol. Weight: 630.80 g/mol

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

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Overview

Molecular Formula C32H54O12
Molecular Weight 630.80 g/mol
Canonical SMILES CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC2C(=C)CCC3C2(CCCC3(C)COC4C(C(C(C(O4)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy