Glycoside
GD017177
Name:
NoneFormula:
C9H12O8N5PSmiles:
[N-]=[N+]=Nc1cn([C@@H]2O[C@H](CP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CP(=O)(O)O.[N-]=[N+]=Nc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.2 | Num_heavy_atoms: | 23 |
| TPSA: | 210.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD00991
Formula: CH5O3P
Smiles:
CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | 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 |
