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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006283

(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,6S,8aS)-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C32H54O16  |  Mol. Weight: 694.80 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,6S,8aS)-6-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C32H54O16
Molecular Weight 694.80 g/mol
Canonical SMILES CC12CCC(CC1C(=C)CC(C2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C(C)(C)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy