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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002179

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bS)-4,13-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formula: C39H64O11  |  Mol. Weight: 708.90 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bS)-4,13-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C39H64O11
Molecular Weight 708.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC(C6C5(CC(C7C6(CCC7=C)C)O)C)O)C)C)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy