Glycoside
GD006509
Name:
NoneFormula:
C21H26O4N6Smiles:
Cc1ccc(N2CCN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)CC2)cc1Aglycone:
Cc1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.48 | Num_heavy_atoms: | 31 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD05380
Formula: C16H17N6
Smiles:
Cc1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 293.35 | Num_heavy_atoms: | 22 |
| TPSA: | 58.72 | NumAromaticRings: | 2 |
