Glycoside
GD006091
Name:
NoneFormula:
C21H28O5N8Smiles:
CNC(=O)c1cnn(-c2nc(NC3CCCCC3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
CNC(=O)c1cnn(-c2nc3c(c(NC4CCCCC4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.51 | Num_heavy_atoms: | 34 |
| TPSA: | 172.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD05070
Formula: C16H19ON8
Smiles:
CNC(=O)c1cnn(-c2nc3c(c(NC4CCCCC4)n2)N=C[N]3)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.38 | Num_heavy_atoms: | 25 |
| TPSA: | 111.19 | NumAromaticRings: | 2 |
