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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006055

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-17-[(E,2R)-2,3-dihydroxy-6-methoxy-6-methylhept-4-en-2-yl]-7-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formula: C43H74O14  |  Mol. Weight: 815.00 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-17-[(E,2R)-2,3-dihydroxy-6-methoxy-6-methylhept-4-en-2-yl]-7-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C43H74O14
Molecular Weight 815.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C(CCC6(C5(C(CC4C3(C)C)O)C)C)C(C)(C(C=CC(C)(C)OC)O)O)C)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy