Glycoside
GD009597
Name:
NoneFormula:
C15H18O4N5ClSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NC3CCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 355.78 | Num_heavy_atoms: | 24 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD07512
Formula: C10H9N5Cl
Smiles:
Clc1nc2c(c(NC3CCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.66 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
