Glycoside
GD034281
Name:
NoneFormula:
C12H20O13N5P3Smiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)c2nc(N)nc([O-])c21Aglycone:
COP(=O)(O)OP(=O)(O)CP(=O)(O)O.C[N+]1=C[N]c2nc(N)nc([O-])c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 535.24 | Num_heavy_atoms: | 33 |
| TPSA: | 283.95 | 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 |
AD06058
Formula: C2H9O9P3
Smiles:
COP(=O)(O)OP(=O)(O)CP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.01 | Num_heavy_atoms: | 14 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
