Glycoside
GD004575
Name:
NoneFormula:
C20H26O5N8Smiles:
CNC(=O)c1cnn(-c2nc(NC3CCCC3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
CNC(=O)c1cnn(-c2nc3c(c(NC4CCCC4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.48 | Num_heavy_atoms: | 33 |
| TPSA: | 172.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD03975
Formula: C15H17ON8
Smiles:
CNC(=O)c1cnn(-c2nc3c(c(NC4CCCC4)n2)N=C[N]3)c1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.36 | Num_heavy_atoms: | 24 |
| TPSA: | 111.19 | NumAromaticRings: | 2 |
