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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020223

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

Formula: C29H42O15  |  Mol. Weight: 630.60 g/mol

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

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Overview

Molecular Formula C29H42O15
Molecular Weight 630.60 g/mol
Canonical SMILES CC1C(CC2C1C(OC=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