Glycoside
GD014462
Name:
NoneFormula:
C17H20O11N10P2Smiles:
Nc1nc(O)c2nc(COP(=O)(O)OP(=O)(O)OC[C@@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)cnc2n1Aglycone:
COP(=O)(O)OP(=O)(O)OCc1cnc2nc(N)nc(O)c2n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 602.35 | Num_heavy_atoms: | 40 |
| TPSA: | 319.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD10628
Formula: C8H11O8N5P2
Smiles:
COP(=O)(O)OP(=O)(O)OCc1cnc2nc(N)nc(O)c2n1| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 367.15 | Num_heavy_atoms: | 23 |
| TPSA: | 200.1 | NumAromaticRings: | 2 |
