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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011477

(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6S)-6-[(3S)-5-[(1S,2R,4S,4aR,8aR)-4-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Formula: C44H74O19  |  Mol. Weight: 907.00 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6S)-6-[(3S)-5-[(1S,2R,4S,4aR,8aR)-4-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C44H74O19
Molecular Weight 907.00 g/mol
Canonical SMILES CC1CC(C2(C(C1(C)CCC(C)(C=C)OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)O)O)O)O)O)CCC=C2C)C)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy