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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006577

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-3'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formula: C51H82O21  |  Mol. Weight: 1031.20 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-3'-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C51H82O21
Molecular Weight 1031.20 g/mol
Canonical SMILES CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy