Glycoside
GD006088
Name:
NoneFormula:
C16H25O16N8P3S2Smiles:
NC(=O)c1ncn([C@H]2O[C@@H](CO[P@](=O)(S)OP(=O)(O)O[P@](=O)(S)OC[C@H]3O[C@@H](n4cnc(C(N)=O)n4)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)(S)OP(=O)(O)OP(=O)(S)OC.NC(=O)C1=N[N]C=N1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 742.47 | Num_heavy_atoms: | 45 |
| TPSA: | 355.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD02229
Formula: C2H9O8P3S2
Smiles:
COP(=O)(S)OP(=O)(O)OP(=O)(S)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.14 | Num_heavy_atoms: | 15 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
