Glycoside
GD022927
Name:
NoneFormula:
C18H18O9N6PClSSmiles:
Nc1ncnc2c1nc(SCc1ccc([N+](=O)[O-])cc1Cl)n2C1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Nc1ncnc2c1N=C(SCc1ccc([N+](=O)[O-])cc1Cl)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.86 | Num_heavy_atoms: | 35 |
| TPSA: | 229.21 | 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 |
AD15480
Formula: C13H8O2N6ClS
Smiles:
Nc1ncnc2c1N=C(SCc1ccc([N+](=O)[O-])cc1Cl)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.76 | Num_heavy_atoms: | 22 |
| TPSA: | 121.4 | NumAromaticRings: | 2 |
