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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001086

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

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

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

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Overview

Molecular Formula C47H80O17
Molecular Weight 917.10 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)O)C)CCC5C3(CC(C6C5(CCC6C(C)(C)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy