Glycoside
GD105643
Name:
NoneFormula:
C10H21O13N5P2SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)OS(O)(O)O)[C@@H](O[PH](O)(O)O)[C@H]1OAglycone:
CO[PH](O)(O)OS(O)(O)O.Nc1ncnc2c1N=C[N]2.O[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.32 | Num_heavy_atoms: | 31 |
| TPSA: | 288.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24820
Formula: H5O4P
Smiles:
O[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.01 | Num_heavy_atoms: | 5 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
AD38277
Formula: CH9O7PS
Smiles:
CO[PH](O)(O)OS(O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.12 | Num_heavy_atoms: | 10 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
