Glycoside
GD091069
Name:
NoneFormula:
C20H22O4N8Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCc4nc(-c5ccccc5)n[nH]4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2nc(-c3ccccc3)n[nH]2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.45 | Num_heavy_atoms: | 32 |
| TPSA: | 167.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD39686
Formula: C15H13N8
Smiles:
C1=Nc2c(ncnc2NCCc2nc(-c3ccccc3)n[nH]2)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.32 | Num_heavy_atoms: | 23 |
| TPSA: | 105.84 | NumAromaticRings: | 3 |
