Glycoside
GD000052
Name:
NoneFormula:
C15H20O12N5P3Cl2SSmiles:
CCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 634.22 | Num_heavy_atoms: | 36 |
| TPSA: | 269.9 | 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 |
AD00072
Formula: C4H7O9P3Cl2
Smiles:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.9 | Num_heavy_atoms: | 16 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
