Glycoside
GD024521
Name:
NoneFormula:
C15H14O7N4PClSSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(-c4ccc(Cl)s4)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Clc1ccc(-c2ncnc3c2N=C[N]3)s1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.78 | Num_heavy_atoms: | 28 |
| TPSA: | 160.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD16352
Formula: C10H4N4ClS
Smiles:
Clc1ccc(-c2ncnc3c2N=C[N]3)s1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 235.68 | Num_heavy_atoms: | 15 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
