Glycoside
GD009515
Name:
NoneFormula:
C8H12O8N4PSmiles:
Nc1ncn(C2OC(COP(=O)([O-])O)C(O)C2O)c(=O)n1Aglycone:
COP(=O)([O-])O.Nc1nc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.18 | Num_heavy_atoms: | 21 |
| TPSA: | 193.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD01340
Formula: C3H4ON4
Smiles:
Nc1nc[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 84.66 | NumAromaticRings: | 1 |
