Glycoside
GD100522
Name:
NoneFormula:
C18H25O7N6PSmiles:
CN(C)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CN(C)c1ccc(Nc2ncnc3c2N=C[N]3)cc1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.41 | Num_heavy_atoms: | 32 |
| TPSA: | 178.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD16065
Formula: C13H13N6
Smiles:
CN(C)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
