Glycoside
GD020243
Name:
NoneFormula:
C18H22O4N8Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ncccn5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCN(c3ncccn3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.43 | Num_heavy_atoms: | 30 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD14009
Formula: C13H13N8
Smiles:
C1=Nc2c(ncnc2N2CCN(c3ncccn3)CC2)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 281.3 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
