Glycoside
GD017131
Name:
NoneFormula:
C12H18O6N5PS2Smiles:
CCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=S)[C@H](O)[C@H]3O)c2n1Aglycone:
CCSc1nc(N)c2c(n1)[N]C=N2.COP(O)(O)=SSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.41 | Num_heavy_atoms: | 26 |
| TPSA: | 169.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD00071
Formula: C7H8N5S
Smiles:
CCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.24 | Num_heavy_atoms: | 13 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00206
Formula: CH5O3PS
Smiles:
COP(O)(O)=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.09 | Num_heavy_atoms: | 6 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
