Glycoside
GD017981
Name:
NoneFormula:
C8H13O9N4PSmiles:
Nc1c(C(=O)O)nnn1[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.NC1=C(C(=O)O)N=N[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.19 | Num_heavy_atoms: | 22 |
| TPSA: | 210.48 | 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 |
AD12768
Formula: C3H3O2N4
Smiles:
NC1=C(C(=O)O)N=N[N]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.08 | Num_heavy_atoms: | 9 |
| TPSA: | 102.14 | NumAromaticRings: | 0 |
