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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023699

Neoconvallatoxoloside

Formula: C35H54O15  |  Mol. Weight: 714.80 g/mol

IUPAC: 3-[3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Overview

Molecular Formula C35H54O15
Molecular Weight 714.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy