Glycoside
GD035069
Name:
NoneFormula:
C14H20O5N8Smiles:
NCC(=O)NCC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)CNC(=O)CN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.37 | Num_heavy_atoms: | 27 |
| TPSA: | 203.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18299
Formula: C5H11O2N3
Smiles:
CNC(=O)CNC(=O)CN| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 145.16 | Num_heavy_atoms: | 10 |
| TPSA: | 84.22 | NumAromaticRings: | 0 |
