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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037431

(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,5R,7S,10S,11R,12R,15S,20S,21S,23R)-12-hydroxy-20-(hydroxymethyl)-1,2,6,6,10,17,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-7-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Formula: C47H76O17  |  Mol. Weight: 913.10 g/mol

IUPAC: (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,5R,7S,10S,11R,12R,15S,20S,21S,23R)-12-hydroxy-20-(hydroxymethyl)-1,2,6,6,10,17,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-7-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C47H76O17
Molecular Weight 913.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3C(C=C5C4(C6C(O6)C7(C5CC(CC7)(C)C)CO)C)O)C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy