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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009432

(2S,3R,4S,5R)-2-[(2R,3S,4S,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol

Formula: C43H70O17  |  Mol. Weight: 859.00 g/mol

IUPAC: (2S,3R,4S,5R)-2-[(2R,3S,4S,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C43H70O17
Molecular Weight 859.00 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CC=C3C2)O)C(C)O)C)C)O)OC6C(C(C(CO6)OC7CC(C(C(O7)C)OC8C(C(C(CO8)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy