Glycoside
GD016728
Name:
NoneFormula:
C15H19O8N4PSmiles:
O=C(NCc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)nn1)c1ccccc1Aglycone:
COP(=O)(O)O.O=C(NCC1=C[N]N=N1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.31 | Num_heavy_atoms: | 28 |
| TPSA: | 176.26 | NumAromaticRings: | 2 |
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 |
AD12007
Formula: C10H9ON4
Smiles:
O=C(NCC1=C[N]N=N1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 201.21 | Num_heavy_atoms: | 15 |
| TPSA: | 67.92 | NumAromaticRings: | 1 |
