Glycoside
GD024184
Name:
NoneFormula:
C10H16O12N5P3S2Smiles:
Nc1nc(O)c2ncn(C3O[C@H](COP(=S)(S)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=S)(S)OP(=O)(O)OP(=O)(O)O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 555.32 | Num_heavy_atoms: | 32 |
| TPSA: | 262.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD12370
Formula: CH7O8P3S2
Smiles:
COP(=S)(S)OP(=O)(O)OP(=O)(O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.12 | Num_heavy_atoms: | 14 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
