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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007807

(2S,3S,3aS,5aR,5bR,7aR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3-[(2S)-1-hydroxypropan-2-yl]-5a,5b,8,11a-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid

Formula: C53H88O24  |  Mol. Weight: 1109.20 g/mol

IUPAC: (2S,3S,3aS,5aR,5bR,7aR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3-[(2S)-1-hydroxypropan-2-yl]-5a,5b,8,11a-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid

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Overview

Molecular Formula C53H88O24
Molecular Weight 1109.20 g/mol
Canonical SMILES CC(CO)C1C2CCC3(C(C2(CC1OC4C(C(C(C(O4)CO)O)O)O)C(=O)O)CCC5C3(CCC6C5(CCCC6(C)COC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)OC9C(C(C(O9)CO)O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy