Glycoside
GD003054
Name:
NoneFormula:
C17H19O9N6PSSmiles:
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.41 | Num_heavy_atoms: | 34 |
| 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 |
AD02816
Formula: C12H9O2N6S
Smiles:
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 301.31 | Num_heavy_atoms: | 21 |
| TPSA: | 121.4 | NumAromaticRings: | 2 |
