Psiguavin
9,11,19,25,26,27,30,31,32,42,43,44,47,48,49,61-hexadecahydroxy-3,14,21,35,38,53,55-heptaoxatetradecacyclo[26.26.3.212,15.16,22.116,22.129,33.02,7.05,23.08,13.024,57.036,54.040,45.046,51.019,59]dohexaconta-5,8,10,12,16,24,26,28(57),29(58),30,32,40,42,44,46,48,50-heptadecaene-4,18,20,34,39,52,56,60-octone
Molecular Identity
Psiguavin
9,11,19,25,26,27,30,31,32,42,43,44,47,48,49,61-hexadecahydroxy-3,14,21,35,38,53,55-heptaoxatetradecacyclo[26.26.3.212,15.16,22.116,22.129,33.02,7.05,23.08,13.024,57.036,54.040,45.046,51.019,59]dohexaconta-5,8,10,12,16,24,26,28(57),29(58),30,32,40,42,44,46,48,50-heptadecaene-4,18,20,34,39,52,56,60-octone
PubChem CID: 131752694
2D Structure
Properties
C55H34O31
Molecular Formula
1190.80
Molecular Weight
g/mol
1190.1084
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
525
TPSA
May have limited oral absorption
16
H-Bond Donors
31
H-Bond Acceptors
3040
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C2C3=CC(=O)C4(C3C5(C6C7=C(C5=O)C(C(C8C9C(COC(=O)C3=CC(=C(C(=C3C3=C(C(=C(C=C3C(=O)O9)O)O)O)O)O)O)OC(=O)C3=C(C(=C(C(=C3)C3=C(C6=C(C(=C3O)O)O)C(=O)O8)O)O)O)OC7=O)C3=C(C=C(C1=C3O2)O)O)OC4=O)O)OIsomeric SMILES
SMILES: C1C(C2C3=CC(=O)C4(C3C5(C6C7=C(C5=O)C(C(C8C9C(COC(=O)C3=CC(=C(C(=C3C3=C(C(=C(C=C3C(=O)O9)O)O)O)O)O)O)OC(=O)C3=C(C(=C(C(=C3)C3=C(C6=C(C(=C3O)O)O)C(=O)O8)O)O)O)OC7=O)C3=C(C=C(C1=C3O2)O)O)OC4=O)O)OSynonyms(1)
Psiguavin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Psiguavin
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