Glycoside
GD086288
Name:
NoneFormula:
C10H15O8N5PBrSmiles:
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[PH](O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CO[PH](O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.14 | Num_heavy_atoms: | 25 |
| TPSA: | 209.2 | NumAromaticRings: | 2 |
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 |
AD02692
Formula: C5H3ON5Br
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(Br)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 229.02 | Num_heavy_atoms: | 12 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
