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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004825

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5R,6R)-6-[[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2S)-3,7-dihydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

Formula: C48H80O16  |  Mol. Weight: 913.10 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5R,6R)-6-[[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2S)-3,7-dihydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C48H80O16
Molecular Weight 913.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4CCC56CC57CCC8(C(CCC8(C7CCC6C4(C)C)C)C(C)C(CC=C(C)CO)O)C)C)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy