Glycoside
GD017533
Name:
NoneFormula:
C20H28O14N5P3Smiles:
CCCCc1ccc(Nc2nc(O)c3ncn(C4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]4O)c3n2)cc1Aglycone:
CCCCc1ccc(Nc2nc(O)c3c(n2)[N]C=N3)cc1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 13 |
| MolWt: | 655.39 | Num_heavy_atoms: | 42 |
| 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 |
AD12500
Formula: C15H16ON5
Smiles:
CCCCc1ccc(Nc2nc(O)c3c(n2)[N]C=N3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.33 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
