Glycoside
GD006959
Name:
NoneFormula:
C9H12O9N5PSmiles:
[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.[N-]=[N+]=Nc1cc(=O)[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.19 | Num_heavy_atoms: | 24 |
| TPSA: | 220.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD02353
Formula: C4H3O2N5
Smiles:
[N-]=[N+]=Nc1cc(=O)[nH]c(=O)[nH]1| 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 |
