Glycoside
GD011274
Name:
NoneFormula:
C16H17O7N5PSBrSmiles:
Nc1ncnc2c1nc(Sc1ccc(Br)cc1)n2C1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Nc1ncnc2c1N=C(Sc1ccc(Br)cc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.29 | Num_heavy_atoms: | 31 |
| TPSA: | 186.07 | 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 |
AD08633
Formula: C11H7N5SBr
Smiles:
Nc1ncnc2c1N=C(Sc1ccc(Br)cc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 321.18 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
