Molecules/Gpi-0100

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

C81H133NO351680.90 g/molCID 56841660

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Molecular Identity

Gpi-0100

PubChem CID: 56841660

2D Structure

Properties

C₈₁H₁₃₃NO₃₅

Molecular Formula

1680.90

Molecular Weight

g/mol

1679.8658

Exact Mass

1.2

XLogP

Drug-like (Lipinski: < 5)

557

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3330

Complexity

SMILES

Canonical SMILES

SMILES: CCCCCCCCCCCCNC(=O)C1C(C(C(C(O1)OC2CCC3(C(C2(C)C=O)CCC4(C3CC=C5C4(CC(C6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(C(O7)C)O)O)OC8C(C(C(C(O8)C)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O)O)O)O)C)C)C)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(CO1)O)O)O)O

Isomeric SMILES

SMILES: CCCCCCCCCCCCNC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C([C@]2(C)C=O)CC[C@@]4(C3CC=C5[C@]4(C[C@H]([C@@]6(C5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O)O)O)O)C)C)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O

Synonyms(8)

GPI-0100GPI0100IC5V8479H3328056-98-0RefChem:782659GPI 0100UNII-IC5V8479H3SCHEMBL29351734

Data from PubChem (NCBI)

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Molecular Structure

Gpi-0100

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Source: PubChem

Drug Network

Trials and conditions connected to Gpi-0100

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