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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038548

(3S,4S,5S,6R)-2-[(3R,5S,6R)-4-hydroxy-6-[[16-hydroxy-6-methoxy-7,9-dimethyl-6-[3-[[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-13-yl]methoxy]-2-(hydroxymethyl)-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formula: C52H84O23  |  Mol. Weight: 1077.20 g/mol

IUPAC: (3S,4S,5S,6R)-2-[(3R,5S,6R)-4-hydroxy-6-[[16-hydroxy-6-methoxy-7,9-dimethyl-6-[3-[[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-13-yl]methoxy]-2-(hydroxymethyl)-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C52H84O23
Molecular Weight 1077.20 g/mol
Canonical SMILES CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)COC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)OC1(CCC(=C)COC9C(C(C(C(O9)CO)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy