Glycoside
GD106685
Name:
NoneFormula:
C18H24O13N5P3Smiles:
Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.Nc1nc(C#Cc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.28 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 611.33 | Num_heavy_atoms: | 39 |
| TPSA: | 285.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD00829
Formula: C13H8N5
Smiles:
Nc1nc(C#Cc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 234.24 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
