Glycoside
GD024770
Name:
NoneFormula:
C17H16O7N5PSmiles:
N#Cc1ccc(-c2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)(O)O.N#Cc1ccc(-c2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.32 | Num_heavy_atoms: | 30 |
| TPSA: | 183.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD16502
Formula: C12H6N5
Smiles:
N#Cc1ccc(-c2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.22 | Num_heavy_atoms: | 17 |
| TPSA: | 76.03 | NumAromaticRings: | 2 |
