Glycoside
GD082800
Name:
NoneFormula:
C18H17O5N7Smiles:
N#Cc1cccc(-c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@@H](O)[C@@H]3O)nn2)c1Aglycone:
N#Cc1cccc(C2=C[N]N=N2)c1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 411.38 | Num_heavy_atoms: | 30 |
| TPSA: | 185.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD29319
Formula: C9H5N4
Smiles:
N#Cc1cccc(C2=C[N]N=N2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.17 | Num_heavy_atoms: | 13 |
| TPSA: | 62.61 | NumAromaticRings: | 1 |
