Glycoside
GD015605
Name:
NoneFormula:
C9H14O15N5P3Smiles:
[N-]=[N+]=Nc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.[N-]=[N+]=Nc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.15 | Num_heavy_atoms: | 32 |
| TPSA: | 313.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD11325
Formula: C4H3O2N5
Smiles:
[N-]=[N+]=Nc1c[nH]c(=O)[nH]c1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.1 | Num_heavy_atoms: | 11 |
| TPSA: | 114.48 | NumAromaticRings: | 1 |
