Glycoside
GD007121
Name:
NoneFormula:
C22H22O8N6Smiles:
O=C(Cc1ccc(Nc2ncnc3c2ncn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc1)ON1C(=O)CCC1=OAglycone:
O=C(Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1)ON1C(=O)CCC1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.45 | Num_heavy_atoms: | 36 |
| TPSA: | 189.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD05821
Formula: C17H13O4N6
Smiles:
O=C(Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1)ON1C(=O)CCC1=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.33 | Num_heavy_atoms: | 27 |
| TPSA: | 127.95 | NumAromaticRings: | 2 |
