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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033586

methyl (3S,4R,4aR,6S,7R,7aR)-6-[(2S,3S,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-3-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-4-carboxylate

Formula: C29H44O15  |  Mol. Weight: 632.60 g/mol

IUPAC: methyl (3S,4R,4aR,6S,7R,7aR)-6-[(2S,3S,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-3-hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C29H44O15
Molecular Weight 632.60 g/mol
Canonical SMILES CC1C(CC2C1COC(C2C(=O)OC)O)OC(=O)C3=COC(C(C3CC(OC)OC)C=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