Glycoside
GD028459
Name:
NoneFormula:
C18H20O9N5PSSmiles:
Nc1ncnc2c1nc(SCc1ccc(C(=O)O)cc1)n2C1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Nc1ncnc2c1N=C(SCc1ccc(C(=O)O)cc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.43 | Num_heavy_atoms: | 34 |
| TPSA: | 223.37 | 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 |
AD18585
Formula: C13H10O2N5S
Smiles:
Nc1ncnc2c1N=C(SCc1ccc(C(=O)O)cc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.32 | Num_heavy_atoms: | 21 |
| TPSA: | 115.56 | NumAromaticRings: | 2 |
