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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009507

(2S,3R,4S,5S,6R)-2-[2-[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C47H80O17  |  Mol. Weight: 917.10 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[2-[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,7-dihydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C47H80O17
Molecular Weight 917.10 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C4CCC5C6(CCC(C6C(CC5(C4(CC(C3C2(C)C)O)C)C)O)C(C)(C)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC8C(C(C(CO8)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy