Glycoside
GD002906
Name:
NoneFormula:
C17H31O13N6P3SSmiles:
NCCCCCCCSc1nc(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.NCCCCCCCSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 16 |
| MolWt: | 652.45 | Num_heavy_atoms: | 40 |
| TPSA: | 305.15 | 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 |
AD02709
Formula: C12H19N6S
Smiles:
NCCCCCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 279.39 | Num_heavy_atoms: | 19 |
| TPSA: | 104.28 | NumAromaticRings: | 1 |
