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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003872

(3S,7S,8S,9R,10R,13R,14S,17R)-7-hydroxy-17-[(2S,3S,4S)-3-hydroxy-6-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-4,4,13,14-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde

Formula: C42H68O15  |  Mol. Weight: 813.00 g/mol

IUPAC: (3S,7S,8S,9R,10R,13R,14S,17R)-7-hydroxy-17-[(2S,3S,4S)-3-hydroxy-6-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-4,4,13,14-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde

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Overview

Molecular Formula C42H68O15
Molecular Weight 813.00 g/mol
Canonical SMILES CC(C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C=O)C)C)C(C(C=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy