Glycoside
GD096410
Name:
NoneFormula:
C16H18O7N6PClSmiles:
O[C@@H]1[C@@H](CO[PH](O)(O)O)O[C@@H](n2cnc3c(Nc4ccncc4Cl)ncnc32)[C@@H]1OAglycone:
CO[PH](O)(O)O.Clc1cnccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.77 | Num_heavy_atoms: | 30 |
| TPSA: | 188.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD37844
Formula: C11H6N6Cl
Smiles:
Clc1cnccc1Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.65 | Num_heavy_atoms: | 17 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
