Glycoside
GD022040
Name:
NoneFormula:
C18H23O14N6P3S2Smiles:
Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(O)(=S)OP(=O)(O)OP(=O)(O)O.Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 13 |
| MolWt: | 704.47 | Num_heavy_atoms: | 43 |
| TPSA: | 305.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD00287
Formula: CH7O9P3S
Smiles:
COP(O)(=S)OP(=O)(O)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
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 |
