GPI-0100
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5R,6aS,6bR,9S,10S,12aR)-10-[(2R,3R,4S,5S,6S)-6-(dodecylcarbamoyl)-5-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Identity
GPI-0100
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5R,6aS,6bR,9S,10S,12aR)-10-[(2R,3R,4S,5S,6S)-6-(dodecylcarbamoyl)-5-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
PubChem CID: 56841660
2D Structure
Properties
C81H133NO35
Molecular Formula
1680.90
Molecular Weight
g/mol
1679.8658
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
557
TPSA
May have limited oral absorption
19
H-Bond Donors
35
H-Bond Acceptors
3330
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(8)
GPI-0100GPI0100IC5V8479H3328056-98-0RefChem:782659GPI 0100UNII-IC5V8479H3SCHEMBL29351734
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to GPI-0100
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