SinuNase
(1R,3S,5R,6R,9R,11R,16R,17R,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18,35-tetramethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Molecular Identity
SinuNase
(1R,3S,5R,6R,9R,11R,16R,17R,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18,35-tetramethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
PubChem CID: 129735008
2D Structure
Properties
C48H75NO17
Molecular Formula
938.10
Molecular Weight
g/mol
937.5035
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
320
TPSA
May have limited oral absorption
12
H-Bond Donors
18
H-Bond Acceptors
1720
Complexity
SMILES
Canonical SMILES
SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2(C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)C)OC3C(C(C(C(O3)C)O)N)OIsomeric SMILES
SMILES: C[C@@H]1[C@@H](C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@]2([C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)OC1C)O)O)O)O)O)O)O)C(=O)O)C)OC3C(C(C(C(O3)C)O)N)O)C)OSynonyms(1)
SinuNase
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to SinuNase
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