Glycoside
GD032925
Name:
NoneFormula:
C15H23O15N5F4P4Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)C(F)(F)CCCC(F)(F)P(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)C(F)(F)CCCC(F)(F)P(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 713.26 | Num_heavy_atoms: | 43 |
| TPSA: | 316.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21057
Formula: C6H14O12F4P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)C(F)(F)CCCC(F)(F)P(=O)(O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 478.05 | Num_heavy_atoms: | 26 |
| TPSA: | 197.12 | NumAromaticRings: | 0 |
