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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034525

(3R)-5-[[(1S,3S,4R,4aR,8S,8aS)-4-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula: C29H46O13  |  Mol. Weight: 602.70 g/mol

IUPAC: (3R)-5-[[(1S,3S,4R,4aR,8S,8aS)-4-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Overview

Molecular Formula C29H46O13
Molecular Weight 602.70 g/mol
Canonical SMILES CC1=CCC(C2(C1C(C(CC2OC(=O)CC(C)(CC(=O)O)O)C(C)C)OC3C(C(C(C(O3)COC(=O)C)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy