Glycoside
GD027704
Name:
NoneFormula:
C20H22O4N8Smiles:
N#Cc1ccccc1C[C@H](N)C(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(N)Cc1ccccc1C#N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.45 | Num_heavy_atoms: | 32 |
| TPSA: | 198.22 | NumAromaticRings: | 3 |
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 |
AD01875
Formula: C11H13ON3
Smiles:
CNC(=O)C(N)Cc1ccccc1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 78.91 | NumAromaticRings: | 1 |
