Glycoside
GD032241
Name:
NoneFormula:
C17H27O13N6P3SSmiles:
N#CCCCCCCSc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N#CCCCCCCSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 15 |
| MolWt: | 648.42 | Num_heavy_atoms: | 40 |
| TPSA: | 302.92 | NumAromaticRings: | 2 |
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 |
AD01784
Formula: C12H15N6S
Smiles:
N#CCCCCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 275.36 | Num_heavy_atoms: | 19 |
| TPSA: | 102.05 | NumAromaticRings: | 1 |
