Glycoside
GD011950
Name:
NoneFormula:
C18H19O8N6PS2Smiles:
Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](COP([O-])([O-])=S)[C@H](O)[C@H]1OAglycone:
COP([O-])([O-])=S.Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.49 | Num_heavy_atoms: | 35 |
| TPSA: | 217.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD03632
Formula: C13H11O2N6S
Smiles:
Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.34 | Num_heavy_atoms: | 22 |
| TPSA: | 121.4 | NumAromaticRings: | 2 |
AD09051
Formula: CH3O3PS
Smiles:
COP([O-])([O-])=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.07 | Num_heavy_atoms: | 6 |
| TPSA: | 55.35 | NumAromaticRings: | 0 |
