Glycoside
GD014193
Name:
NoneFormula:
C14H23O7N6PSmiles:
CCCCNc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCNc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.35 | Num_heavy_atoms: | 28 |
| TPSA: | 198.1 | 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 |
AD04557
Formula: C9H13N6
Smiles:
CCCCNc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.25 | Num_heavy_atoms: | 15 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
