Glycoside
GD016053
Name:
NoneFormula:
C13H20O7N5PSSmiles:
CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.37 | 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 |
AD02743
Formula: C8H10N5S
Smiles:
CCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.27 | Num_heavy_atoms: | 14 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
