Glycoside
GD035890
Name:
NoneFormula:
C11H17O10N5P2SSmiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)(S)OP(=O)(O)O)[C@H](O)[C@H]2O)c2nc(N)nc([O-])c21Aglycone:
COP(=O)(S)OP(=O)(O)O.C[N+]1=C[N]c2nc(N)nc([O-])c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 473.3 | Num_heavy_atoms: | 29 |
| TPSA: | 226.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD03635
Formula: C6H6ON5
Smiles:
C[N+]1=C[N]c2nc(N)nc([O-])c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 91.97 | NumAromaticRings: | 1 |
AD05065
Formula: CH6O6P2S
Smiles:
COP(=O)(S)OP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.07 | Num_heavy_atoms: | 10 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
