Glycoside
GD089350
Name:
NoneFormula:
C20H26O4N8Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCC[C@H](c5nc(C6CC6)n[nH]5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCCC(c3nc(C4CC4)n[nH]3)C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.48 | Num_heavy_atoms: | 32 |
| TPSA: | 158.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD38975
Formula: C15H17N8
Smiles:
C1=Nc2c(ncnc2N2CCCC(c3nc(C4CC4)n[nH]3)C2)[N]1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.36 | Num_heavy_atoms: | 23 |
| TPSA: | 97.05 | NumAromaticRings: | 2 |
