Glycoside
GD020781
Name:
NoneFormula:
C15H23O12N9P2Smiles:
[N-]=[N+]=Nc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4NC[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O.[N-]=[N+]=Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 583.35 | Num_heavy_atoms: | 38 |
| TPSA: | 322.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD00533
Formula: C5H3N8
Smiles:
[N-]=[N+]=Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.14 | Num_heavy_atoms: | 13 |
| TPSA: | 127.02 | NumAromaticRings: | 1 |
AD01888
Formula: C6H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 154.78 | NumAromaticRings: | 0 |
