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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006333

7-[[(1S,2R,4aS,6R,8aR)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one

Formula: C36H52O15  |  Mol. Weight: 724.80 g/mol

IUPAC: 7-[[(1S,2R,4aS,6R,8aR)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one

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Overview

Molecular Formula C36H52O15
Molecular Weight 724.80 g/mol
Canonical SMILES CC1(C2CCC(C(C2(CCC1OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)COC5=CC6=C(C=C5)C=CC(=O)O6)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy