Glycoside
GD015291
Name:
NoneFormula:
C17H22O14N5P3Smiles:
Cc1ccc(Nc2nc(O)c3ncn(C4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]4O)c3n2)cc1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Cc1ccc(Nc2nc(O)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 613.31 | Num_heavy_atoms: | 39 |
| TPSA: | 285.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD07440
Formula: C12H10ON5
Smiles:
Cc1ccc(Nc2nc(O)c3c(n2)[N]C=N3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
