Glycoside
GD018263
Name:
NoneFormula:
C13H18O13N4P3ClSmiles:
CNc1nc(Cl)cc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CNc1nc(Cl)cc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.67 | Num_heavy_atoms: | 33 |
| TPSA: | 252.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD12917
Formula: C8H6N4Cl
Smiles:
CNc1nc(Cl)cc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 181.61 | Num_heavy_atoms: | 12 |
| TPSA: | 51.38 | NumAromaticRings: | 1 |
