Glycoside
GD024847
Name:
NoneFormula:
C10H14O8N5PSmiles:
Nc1nc(=O)n2ccn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)O.Nc1nc2n(c(=O)n1)C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.22 | Num_heavy_atoms: | 24 |
| TPSA: | 194.66 | NumAromaticRings: | 2 |
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 |
AD15100
Formula: C5H4ON5
Smiles:
Nc1nc2n(c(=O)n1)C=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 87.9 | NumAromaticRings: | 1 |
