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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006485

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

Formula: C48H80O18  |  Mol. Weight: 945.10 g/mol

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

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Overview

Molecular Formula C48H80O18
Molecular Weight 945.10 g/mol
Canonical SMILES CC(CC(C=C(C)C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CCC5(C4C(C=C6C5CCC(C6(C)C)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy