Glycoside
GD019761
Name:
NoneFormula:
C13H16O7N5PSSmiles:
C#CCSc1nc(N)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1Aglycone:
C#CCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.34 | Num_heavy_atoms: | 27 |
| TPSA: | 186.07 | NumAromaticRings: | 2 |
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 |
AD03428
Formula: C8H6N5S
Smiles:
C#CCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.24 | Num_heavy_atoms: | 14 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
