Glycoside
GD082426
Name:
NoneFormula:
C17H26O5N7Smiles:
C[NH+]1CCC(c2cn([C@]3(CO)O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)nn2)CC1Aglycone:
C[NH+]1CCC(C2=C[N]N=N2)CC1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.44 | Num_heavy_atoms: | 29 |
| TPSA: | 165.98 | NumAromaticRings: | 2 |
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 |
AD29073
Formula: C8H14N4
Smiles:
C[NH+]1CCC(C2=C[N]N=N2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.23 | Num_heavy_atoms: | 12 |
| TPSA: | 43.26 | NumAromaticRings: | 0 |
