Glycoside
GD036695
Name:
NoneFormula:
C19H20O9N6P2Cl2Smiles:
O=P(O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2nnc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.Clc1nc2c(c(NCc3ccccc3Cl)n1)N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.23 | Num_heavy_atoms: | 36 |
| TPSA: | 222.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD23145
Formula: C13H7N6Cl2
Smiles:
Clc1nc2c(c(NCc3ccccc3Cl)n1)N=N[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.12 | Num_heavy_atoms: | 19 |
| TPSA: | 76.63 | NumAromaticRings: | 2 |
