Glycoside
GD019087
Name:
NoneFormula:
C22H21O4N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CC#N)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.N#CCc1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.46 | Num_heavy_atoms: | 33 |
| TPSA: | 172.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD13372
Formula: C15H9N6
Smiles:
N#CCc1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.28 | Num_heavy_atoms: | 21 |
| TPSA: | 102.05 | NumAromaticRings: | 2 |
